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

C16H32N2O — CID 114830457

IUPACN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
SMILESCCOC1CC(N)(CNC2(C)CCCCC2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-5-19-13-11-16(17,14(13,2)3)12-18-15(4)9-7-6-8-10-15/h13,18H,5-12,17H2,1-4H3
InChIKeyFUMSPMOJUVJEKC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.83
Rot. Bonds5

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

N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 114830457) 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]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
PubChem CID114830457
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
SMILESCCOC1CC(N)(CNC2(C)CCCCC2)C1(C)C
InChIInChI=1S/C16H32N2O/c1-5-19-13-11-16(17,14(13,2)3)12-18-15(4)9-7-6-8-10-15/h13,18H,5-12,17H2,1-4H3
InChIKeyFUMSPMOJUVJEKC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830783
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114830821
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114119860
1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830560
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
CID 114830305
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 107456220
1-amino-3-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829130
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine (CID 114830457) is N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine is CCOC1CC(N)(CNC2(C)CCCCC2)C1(C)C.
What is the InChIKey of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is FUMSPMOJUVJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-19-13-11-16(17,14(13,2)3)12-18-15(4)9-7-6-8-10-15/h13,18H,5-12,17H2,1-4H3.
What are the key properties of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine?
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.83, 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]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 114830457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).