2-amino-5-[3-(aminomethyl)phenyl]pentanamide

C12H19N3O — CID 174561591

IUPAC2-amino-5-[3-(aminomethyl)phenyl]pentanamide
SMILESNCc1cccc(CCCC(N)C(N)=O)c1
InChIInChI=1S/C12H19N3O/c13-8-10-5-1-3-9(7-10)4-2-6-11(14)12(15)16/h1,3,5,7,11H,2,4,6,8,13-14H2,(H2,15,16)
InChIKeyNWMFVYKGLDLGEU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.28
Rot. Bonds6

About 2-amino-5-[3-(aminomethyl)phenyl]pentanamide

2-amino-5-[3-(aminomethyl)phenyl]pentanamide (PubChem CID 174561591) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-5-[3-(aminomethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-[3-(aminomethyl)phenyl]pentanamide
PubChem CID174561591
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-5-[3-(aminomethyl)phenyl]pentanamide
SMILESNCc1cccc(CCCC(N)C(N)=O)c1
InChIInChI=1S/C12H19N3O/c13-8-10-5-1-3-9(7-10)4-2-6-11(14)12(15)16/h1,3,5,7,11H,2,4,6,8,13-14H2,(H2,15,16)
InChIKeyNWMFVYKGLDLGEU-UHFFFAOYSA-N
XLogP0.28
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4S)-4,5-diamino-5-oxopentyl]benzoate;hydrochloride
CID 69266366
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
2-amino-5-(3-bromophenyl)pentanoic acid
CID 83664408
(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide
CID 174576031
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
4-amino-1-[3-(aminomethyl)phenyl]-5-methylhexan-3-one
CID 160914194
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
(2S)-2-amino-N-[[3-(aminomethyl)phenyl]methyl]-4-phenylbutanamide;dihydrochloride
CID 138011974
(2S)-2-amino-5-phenylpentanethioic S-acid
CID 57090129
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(aminomethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-5-[3-(aminomethyl)phenyl]pentanamide (CID 174561591) is 2-amino-5-[3-(aminomethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-5-[3-(aminomethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-5-[3-(aminomethyl)phenyl]pentanamide is NCc1cccc(CCCC(N)C(N)=O)c1.
What is the InChIKey of 2-amino-5-[3-(aminomethyl)phenyl]pentanamide?
The InChIKey is NWMFVYKGLDLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-10-5-1-3-9(7-10)4-2-6-11(14)12(15)16/h1,3,5,7,11H,2,4,6,8,13-14H2,(H2,15,16).
What are the key properties of 2-amino-5-[3-(aminomethyl)phenyl]pentanamide?
2-amino-5-[3-(aminomethyl)phenyl]pentanamide has a molecular weight of 221.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(aminomethyl)phenyl]pentanamide is sourced from PubChem (CID 174561591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).