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

C14H24N2S — CID 80705684

IUPAC1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESCN(Cc1cccs1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C14H24N2S/c1-13(2)6-7-14(10-13,11-15)16(3)9-12-5-4-8-17-12/h4-5,8H,6-7,9-11,15H2,1-3H3
InChIKeyBBPJHOATOJXECA-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds4

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

1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (PubChem CID 80705684) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
PubChem CID80705684
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESCN(Cc1cccs1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C14H24N2S/c1-13(2)6-7-14(10-13,11-15)16(3)9-12-5-4-8-17-12/h4-5,8H,6-7,9-11,15H2,1-3H3
InChIKeyBBPJHOATOJXECA-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.09
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
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 80705336
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 80706158
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 79927569
4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
CID 61436948
3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 79476289
1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43527448
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 61436759

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (CID 80705684) is 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is CN(Cc1cccs1)C1(CN)CCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is BBPJHOATOJXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2)6-7-14(10-13,11-15)16(3)9-12-5-4-8-17-12/h4-5,8H,6-7,9-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 80705684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).