1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C15H24N2S — CID 54948660

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESNCC1(N(Cc2cccs2)C2CC2)CCCCC1
InChIInChI=1S/C15H24N2S/c16-12-15(8-2-1-3-9-15)17(13-6-7-13)11-14-5-4-10-18-14/h4-5,10,13H,1-3,6-9,11-12,16H2
InChIKeyDPBLENYFAVHQPR-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.37
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 54948660) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID54948660
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESNCC1(N(Cc2cccs2)C2CC2)CCCCC1
InChIInChI=1S/C15H24N2S/c16-12-15(8-2-1-3-9-15)17(13-6-7-13)11-14-5-4-10-18-14/h4-5,10,13H,1-3,6-9,11-12,16H2
InChIKeyDPBLENYFAVHQPR-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
3-(aminomethyl)-N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 79950337
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64762159
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677499
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 54948660) is 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is NCC1(N(Cc2cccs2)C2CC2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is DPBLENYFAVHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c16-12-15(8-2-1-3-9-15)17(13-6-7-13)11-14-5-4-10-18-14/h4-5,10,13H,1-3,6-9,11-12,16H2.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.37, 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-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 54948660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).