1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine

C16H26N2S — CID 80706068

IUPAC1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(CN)(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C16H26N2S/c1-15(2)7-8-16(11-15,12-17)18(13-5-6-13)10-14-4-3-9-19-14/h3-4,9,13H,5-8,10-12,17H2,1-2H3
InChIKeyUHPZNYZHEZBRIX-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.62
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine

1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (PubChem CID 80706068) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
PubChem CID80706068
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(CN)(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C16H26N2S/c1-15(2)7-8-16(11-15,12-17)18(13-5-6-13)10-14-4-3-9-19-14/h3-4,9,13H,5-8,10-12,17H2,1-2H3
InChIKeyUHPZNYZHEZBRIX-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-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
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
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
CID 61436948
N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine
CID 114277193
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (CID 80706068) is 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is CC1(C)CCC(CN)(N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is UHPZNYZHEZBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-15(2)7-8-16(11-15,12-17)18(13-5-6-13)10-14-4-3-9-19-14/h3-4,9,13H,5-8,10-12,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-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-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 80706068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).