N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine

C16H32N2O — CID 114830821

IUPACN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCOC1CC(N)(CNC2CCC(C)(C)C2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-6-19-13-10-16(17,15(13,4)5)11-18-12-7-8-14(2,3)9-12/h12-13,18H,6-11,17H2,1-5H3
InChIKeyORLRRBVEYXOKPL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.69
Rot. Bonds5

About N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114830821) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114830821
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCOC1CC(N)(CNC2CCC(C)(C)C2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-6-19-13-10-16(17,15(13,4)5)11-18-12-7-8-14(2,3)9-12/h12-13,18H,6-11,17H2,1-5H3
InChIKeyORLRRBVEYXOKPL-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114119860
3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830783
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 114830457
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine
CID 114547425
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
CID 114830305
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
ethyl 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499837
3,3-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 114547529
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114830821) is N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine is CCOC1CC(N)(CNC2CCC(C)(C)C2)C1(C)C.
What is the InChIKey of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is ORLRRBVEYXOKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-19-13-10-16(17,15(13,4)5)11-18-12-7-8-14(2,3)9-12/h12-13,18H,6-11,17H2,1-5H3.
What are the key properties of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114830821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).