N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide

C16H23BrN2O — CID 119571568

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-3-16(4-2,10-18)19-15(20)14-9-13(14)11-6-5-7-12(17)8-11/h5-8,13-14H,3-4,9-10,18H2,1-2H3,(H,19,20)
InChIKeyFZDSQTCSROLQND-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.19
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide (PubChem CID 119571568) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
PubChem CID119571568
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-3-16(4-2,10-18)19-15(20)14-9-13(14)11-6-5-7-12(17)8-11/h5-8,13-14H,3-4,9-10,18H2,1-2H3,(H,19,20)
InChIKeyFZDSQTCSROLQND-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119571567
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119569950
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119570795
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
N-[2-(aminomethyl)cyclohexyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119612033
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514058

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide (CID 119571568) is N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide is CCC(CC)(CN)NC(=O)C1CC1c1cccc(Br)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
The InChIKey is FZDSQTCSROLQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-16(4-2,10-18)19-15(20)14-9-13(14)11-6-5-7-12(17)8-11/h5-8,13-14H,3-4,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119571568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).