1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine

C13H26N2O — CID 106872628

IUPAC1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1(CN)NCCC1CC1
InChIInChI=1S/C13H26N2O/c1-16-12-4-2-3-8-13(12,10-14)15-9-7-11-5-6-11/h11-12,15H,2-10,14H2,1H3
InChIKeyHFUKCNJTVLACDP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.66
Rot. Bonds6

About 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine

1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine (PubChem CID 106872628) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine
PubChem CID106872628
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1(CN)NCCC1CC1
InChIInChI=1S/C13H26N2O/c1-16-12-4-2-3-8-13(12,10-14)15-9-7-11-5-6-11/h11-12,15H,2-10,14H2,1H3
InChIKeyHFUKCNJTVLACDP-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 106872782
N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
CID 106872574
2-[2-methoxy-1-(propylamino)cyclohexyl]ethanol
CID 106874602
1-(aminomethyl)-N-(2-cyclobutylethyl)-2,4-dimethylcyclohexan-1-amine
CID 113478719
1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
CID 106872752
1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
CID 106872326
2-methoxycyclohexane-1,1-diamine
CID 22418278
(1-ethoxy-2-methoxycyclohexyl)methanamine
CID 106874703
methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
CID 106874714
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine (CID 106872628) is 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine is COC1CCCCC1(CN)NCCC1CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine?
The InChIKey is HFUKCNJTVLACDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-12-4-2-3-8-13(12,10-14)15-9-7-11-5-6-11/h11-12,15H,2-10,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine?
1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 106872628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).