N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine

C28H54N4 — CID 170394210

IUPACN-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1(C)CN(C(C)(C)CC(C)(C)N2CC3(C=CCN(C(C)(C)C)C3)C2)C1
InChIInChI=1S/C28H54N4/c1-23(2)29(11)16-14-27(10)18-31(19-27)25(6,7)17-26(8,9)32-21-28(22-32)13-12-15-30(20-28)24(3,4)5/h12-13,23H,14-22H2,1-11H3
InChIKeyDMDLWZXDNFYDGT-UHFFFAOYSA-N
MW446.77 g/mol
LogP4.96
Rot. Bonds8

About N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine

N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 170394210) has the molecular formula C28H54N4 and a molecular weight of 446.77 g/mol. Its IUPAC name is N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine
PubChem CID170394210
Molecular FormulaC28H54N4
Molecular Weight446.77 g/mol
Exact Mass446.43
IUPAC NameN-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1(C)CN(C(C)(C)CC(C)(C)N2CC3(C=CCN(C(C)(C)C)C3)C2)C1
InChIInChI=1S/C28H54N4/c1-23(2)29(11)16-14-27(10)18-31(19-27)25(6,7)17-26(8,9)32-21-28(22-32)13-12-15-30(20-28)24(3,4)5/h12-13,23H,14-22H2,1-11H3
InChIKeyDMDLWZXDNFYDGT-UHFFFAOYSA-N
XLogP4.96
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.77
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine with MolForge

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Related Compounds

N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine
CID 135224586
N-methyl-N-[2-(3-methyloxetan-3-yl)ethyl]propan-2-amine
CID 145201975
3-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-1-amine
CID 170055778
ethane;N-methyl-N-[2-(1-methylcyclopentyl)ethyl]propan-2-amine
CID 166552547
N-methyl-N-[2-(1-methyl-3-propan-2-ylcyclobutyl)ethyl]propan-2-amine
CID 170578281
N-methyl-N-[2-(3-methylazetidin-3-yl)ethyl]propan-2-amine;molecular hydrogen
CID 176704428
N-methyl-N-[2-(2-methylazetidin-2-yl)ethyl]propan-2-amine
CID 165404573
N-methyl-N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 178108544
1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopropan-1-amine
CID 84763773
N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine
CID 167612038
N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine
CID 178115894
N-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 167227168

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine (CID 170394210) is N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCC1(C)CN(C(C)(C)CC(C)(C)N2CC3(C=CCN(C(C)(C)C)C3)C2)C1.
What is the InChIKey of N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is DMDLWZXDNFYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4/c1-23(2)29(11)16-14-27(10)18-31(19-27)25(6,7)17-26(8,9)32-21-28(22-32)13-12-15-30(20-28)24(3,4)5/h12-13,23H,14-22H2,1-11H3.
What are the key properties of N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 446.77 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 170394210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).