1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine

C17H34N2 — CID 78993851

IUPAC1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN(C1CC1)C1(CN)CCCC(C)(C)C1
InChIInChI=1S/C17H34N2/c1-14(2)8-11-19(15-6-7-15)17(13-18)10-5-9-16(3,4)12-17/h14-15H,5-13,18H2,1-4H3
InChIKeyIFIWNRMYRJIDCL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds6

About 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine (PubChem CID 78993851) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine
PubChem CID78993851
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN(C1CC1)C1(CN)CCCC(C)(C)C1
InChIInChI=1S/C17H34N2/c1-14(2)8-11-19(15-6-7-15)17(13-18)10-5-9-16(3,4)12-17/h14-15H,5-13,18H2,1-4H3
InChIKeyIFIWNRMYRJIDCL-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 78995833
1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
CID 79521257
3-(aminomethyl)-N-cyclopropyl-4,4-dimethyl-N-(3-methylbutyl)thian-3-amine
CID 79948217
1-(aminomethyl)-N-cyclopropyl-N-propylcyclohexan-1-amine
CID 43270236
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 65087963
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110
1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103562758

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine (CID 78993851) is 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine is CC(C)CCN(C1CC1)C1(CN)CCCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine?
The InChIKey is IFIWNRMYRJIDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(2)8-11-19(15-6-7-15)17(13-18)10-5-9-16(3,4)12-17/h14-15H,5-13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 78993851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).