1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide

C17H25BrN2O — CID 115444286

IUPAC1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(CN)CCCCCC1)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2O/c1-13(14-7-6-8-15(18)11-14)20-16(21)17(12-19)9-4-2-3-5-10-17/h6-8,11,13H,2-5,9-10,12,19H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyNROBYFQGIATVAI-CYBMUJFWSA-N
MW353.30 g/mol
LogP3.93
Rot. Bonds4

About 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide

1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide (PubChem CID 115444286) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
PubChem CID115444286
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(CN)CCCCCC1)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2O/c1-13(14-7-6-8-15(18)11-14)20-16(21)17(12-19)9-4-2-3-5-10-17/h6-8,11,13H,2-5,9-10,12,19H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyNROBYFQGIATVAI-CYBMUJFWSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide (CID 115444286) is 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide is C[C@@H](NC(=O)C1(CN)CCCCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide?
The InChIKey is NROBYFQGIATVAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13(14-7-6-8-15(18)11-14)20-16(21)17(12-19)9-4-2-3-5-10-17/h6-8,11,13H,2-5,9-10,12,19H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide?
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 115444286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).