1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C16H32N2 — CID 64750874

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CC(C)CC(C)C1
InChIInChI=1S/C16H32N2/c1-4-7-18(11-15-5-6-15)16(12-17)9-13(2)8-14(3)10-16/h13-15H,4-12,17H2,1-3H3
InChIKeyBXPUDIRKQFIKNL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds6

About 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64750874) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64750874
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CC(C)CC(C)C1
InChIInChI=1S/C16H32N2/c1-4-7-18(11-15-5-6-15)16(12-17)9-13(2)8-14(3)10-16/h13-15H,4-12,17H2,1-3H3
InChIKeyBXPUDIRKQFIKNL-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-methylcyclobutan-1-amine
CID 103562943
1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine
CID 106821887
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759040
1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 62384555
3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
CID 61440814
3-(aminomethyl)-N,N-bis(cyclopropylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467695
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
CID 64500122
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64750874) is 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCN(CC1CC1)C1(CN)CC(C)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is BXPUDIRKQFIKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-7-18(11-15-5-6-15)16(12-17)9-13(2)8-14(3)10-16/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64750874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).