N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine

C18H37N3 — CID 64946582

IUPACN,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCC(C)C1CNC2(CCCCC2)CN1CCCCN(C)C
InChIInChI=1S/C18H37N3/c1-16(2)17-14-19-18(10-6-5-7-11-18)15-21(17)13-9-8-12-20(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyHGRBZKMKWYUHTO-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds6

About N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine

N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 64946582) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID64946582
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCC(C)C1CNC2(CCCCC2)CN1CCCCN(C)C
InChIInChI=1S/C18H37N3/c1-16(2)17-14-19-18(10-6-5-7-11-18)15-21(17)13-9-8-12-20(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyHGRBZKMKWYUHTO-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
CID 64945821
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041
9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875640
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946727
4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64875697
3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine (CID 64946582) is N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine is CC(C)C1CNC2(CCCCC2)CN1CCCCN(C)C.
What is the InChIKey of N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is HGRBZKMKWYUHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)17-14-19-18(10-6-5-7-11-18)15-21(17)13-9-8-12-20(3)4/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine?
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 64946582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).