2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide

C13H29N3O — CID 114140198

IUPAC2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
SMILESCCCC(CN)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C13H29N3O/c1-5-7-12(10-14)13(17)15-8-6-9-16(4)11(2)3/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyJGSCUORTPTYJOC-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds9

About 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide

2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide (PubChem CID 114140198) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
PubChem CID114140198
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
SMILESCCCC(CN)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C13H29N3O/c1-5-7-12(10-14)13(17)15-8-6-9-16(4)11(2)3/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyJGSCUORTPTYJOC-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide (CID 114140198) is 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide is CCCC(CN)C(=O)NCCCN(C)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide?
The InChIKey is JGSCUORTPTYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-12(10-14)13(17)15-8-6-9-16(4)11(2)3/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide?
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide is sourced from PubChem (CID 114140198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).