1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C17H28N2S — CID 64762159

IUPAC1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(CN)(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C17H28N2S/c1-13-5-6-14(2)17(10-13,12-18)19(15-7-8-15)11-16-4-3-9-20-16/h3-4,9,13-15H,5-8,10-12,18H2,1-2H3
InChIKeyLAUGHUFHTASSBZ-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.87
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64762159) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID64762159
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(CN)(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C17H28N2S/c1-13-5-6-14(2)17(10-13,12-18)19(15-7-8-15)11-16-4-3-9-20-16/h3-4,9,13-15H,5-8,10-12,18H2,1-2H3
InChIKeyLAUGHUFHTASSBZ-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
3-(aminomethyl)-N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 79950337
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 64762726
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 113440590

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 64762159) is 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is CC1CCC(C)C(CN)(N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is LAUGHUFHTASSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13-5-6-14(2)17(10-13,12-18)19(15-7-8-15)11-16-4-3-9-20-16/h3-4,9,13-15H,5-8,10-12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.87, 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-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64762159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).