1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine

C11H24N2O — CID 106872430

IUPAC1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
SMILESCCCNC1(CN)CCCC(OC)C1
InChIInChI=1S/C11H24N2O/c1-3-7-13-11(9-12)6-4-5-10(8-11)14-2/h10,13H,3-9,12H2,1-2H3
InChIKeyJZJCWIDBJVYXHC-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.27
Rot. Bonds5

About 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine (PubChem CID 106872430) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
PubChem CID106872430
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
SMILESCCCNC1(CN)CCCC(OC)C1
InChIInChI=1S/C11H24N2O/c1-3-7-13-11(9-12)6-4-5-10(8-11)14-2/h10,13H,3-9,12H2,1-2H3
InChIKeyJZJCWIDBJVYXHC-UHFFFAOYSA-N
XLogP1.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
CID 106872752
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
CID 106822123
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824510
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine (CID 106872430) is 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine is CCCNC1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine?
The InChIKey is JZJCWIDBJVYXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-7-13-11(9-12)6-4-5-10(8-11)14-2/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106872430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).