1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine

C16H34N2 — CID 63470399

IUPAC1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)C(C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-7-15-8-10-16(12-17,11-9-15)18(5)14(4)13(2)3/h13-15H,6-12,17H2,1-5H3
InChIKeyUNMWTEJMOSAWBL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 63470399) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
PubChem CID63470399
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)C(C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-7-15-8-10-16(12-17,11-9-15)18(5)14(4)13(2)3/h13-15H,6-12,17H2,1-5H3
InChIKeyUNMWTEJMOSAWBL-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63465758
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 54947055
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)cyclopropan-1-amine
CID 106661064
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543
1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 64745055
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
1-(aminomethyl)-N-cyclohexyl-N-methyl-4-propylcycloheptan-1-amine
CID 65091681
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
CID 65088706
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine (CID 63470399) is 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(C)C(C)C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is UNMWTEJMOSAWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-15-8-10-16(12-17,11-9-15)18(5)14(4)13(2)3/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63470399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).