3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine

C14H22BrNS — CID 79601274

IUPAC3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(c2cscc2Br)C1
InChIInChI=1S/C14H22BrNS/c1-2-7-16-12-6-4-3-5-11(8-12)13-9-17-10-14(13)15/h9-12,16H,2-8H2,1H3
InChIKeyNDYJEXDJBKVDKV-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.93
Rot. Bonds4

About 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine

3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine (PubChem CID 79601274) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine
PubChem CID79601274
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(c2cscc2Br)C1
InChIInChI=1S/C14H22BrNS/c1-2-7-16-12-6-4-3-5-11(8-12)13-9-17-10-14(13)15/h9-12,16H,2-8H2,1H3
InChIKeyNDYJEXDJBKVDKV-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
CID 107360797
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 103396741
N-propylcyclohexanamine;hydrochloride
CID 17370003
azane;N-propylcyclohexanamine
CID 19368218
N-[[2-(4-bromothiophen-3-yl)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 81028976
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine?
The IUPAC name of 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine (CID 79601274) is 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine is CCCNC1CCCCC(c2cscc2Br)C1.
What is the InChIKey of 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine?
The InChIKey is NDYJEXDJBKVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-2-7-16-12-6-4-3-5-11(8-12)13-9-17-10-14(13)15/h9-12,16H,2-8H2,1H3.
What are the key properties of 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine?
3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-3-yl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 79601274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).