1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H32N2 — CID 79074927

IUPAC1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCCNC(C1CC1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H32N2/c1-5-11-17-15(14-8-9-14)16(18(3)4)10-6-7-13(2)12-16/h13-15,17H,5-12H2,1-4H3
InChIKeyBVXCWPRFUVWAQT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074927) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074927
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCCNC(C1CC1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H32N2/c1-5-11-17-15(14-8-9-14)16(18(3)4)10-6-7-13(2)12-16/h13-15,17H,5-12H2,1-4H3
InChIKeyBVXCWPRFUVWAQT-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(4-methylcyclohexyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070623
1-[2-methoxy-1-(propylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79570649
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066377
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
CID 79066378
N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine
CID 79063598
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
1-(1-hydrazinyl-3-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 105243702
1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063346

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074927) is 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is CCCNC(C1CC1)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is BVXCWPRFUVWAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-11-17-15(14-8-9-14)16(18(3)4)10-6-7-13(2)12-16/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).