1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine

C16H26N2S — CID 61433850

IUPAC1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(Cc2ccsc2)C2CC2)CC1
InChIInChI=1S/C16H26N2S/c1-13-4-7-16(12-17,8-5-13)18(15-2-3-15)10-14-6-9-19-11-14/h6,9,11,13,15H,2-5,7-8,10,12,17H2,1H3
InChIKeyQMTSHHHAFVWSPV-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.62
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 61433850) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID61433850
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(Cc2ccsc2)C2CC2)CC1
InChIInChI=1S/C16H26N2S/c1-13-4-7-16(12-17,8-5-13)18(15-2-3-15)10-14-6-9-19-11-14/h6,9,11,13,15H,2-5,7-8,10,12,17H2,1H3
InChIKeyQMTSHHHAFVWSPV-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 64753440
1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 64501598
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848238
8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine
CID 114818042
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 61433850) is 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is CC1CCC(CN)(N(Cc2ccsc2)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is QMTSHHHAFVWSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13-4-7-16(12-17,8-5-13)18(15-2-3-15)10-14-6-9-19-11-14/h6,9,11,13,15H,2-5,7-8,10,12,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61433850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).