1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine

C18H34N2 — CID 65241451

IUPAC1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CCN(C)CC2CC3CCC2C3)CCCCC1
InChIInChI=1S/C18H34N2/c1-19-18(8-4-3-5-9-18)10-11-20(2)14-17-13-15-6-7-16(17)12-15/h15-17,19H,3-14H2,1-2H3
InChIKeyVVBPVQIWTSJCRN-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds6

About 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine

1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine (PubChem CID 65241451) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
PubChem CID65241451
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CCN(C)CC2CC3CCC2C3)CCCCC1
InChIInChI=1S/C18H34N2/c1-19-18(8-4-3-5-9-18)10-11-20(2)14-17-13-15-6-7-16(17)12-15/h15-17,19H,3-14H2,1-2H3
InChIKeyVVBPVQIWTSJCRN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
CID 79564028
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63683963
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
[1-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexyl]methanol
CID 79555111
1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241439
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79562721
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
CID 63683037
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 63682211
[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
CID 63685558

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine (CID 65241451) is 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine is CNC1(CCN(C)CC2CC3CCC2C3)CCCCC1.
What is the InChIKey of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is VVBPVQIWTSJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-19-18(8-4-3-5-9-18)10-11-20(2)14-17-13-15-6-7-16(17)12-15/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).