1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine

C14H23BrN2S — CID 80705336

IUPAC1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
SMILESCN(Cc1cc(Br)cs1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C14H23BrN2S/c1-13(2)4-5-14(9-13,10-16)17(3)7-12-6-11(15)8-18-12/h6,8H,4-5,7,9-10,16H2,1-3H3
InChIKeyHPGQSMVZMDJBCX-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.85
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine

1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine (PubChem CID 80705336) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
PubChem CID80705336
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
SMILESCN(Cc1cc(Br)cs1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C14H23BrN2S/c1-13(2)4-5-14(9-13,10-16)17(3)7-12-6-11(15)8-18-12/h6,8H,4-5,7,9-10,16H2,1-3H3
InChIKeyHPGQSMVZMDJBCX-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
CID 54984936
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,1-dioxothian-4-amine
CID 54984935
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 65045314
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 80705437
[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441733
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine (CID 80705336) is 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine is CN(Cc1cc(Br)cs1)C1(CN)CCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine?
The InChIKey is HPGQSMVZMDJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-13(2)4-5-14(9-13,10-16)17(3)7-12-6-11(15)8-18-12/h6,8H,4-5,7,9-10,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine?
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine is sourced from PubChem (CID 80705336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).