2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide

C15H33N3O — CID 107471013

IUPAC2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
SMILESCCN(CC)CCCNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H33N3O/c1-6-18(7-2)10-8-9-17-14(19)13(12-16)11-15(3,4)5/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyNMGYPPRIPLRDJJ-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.85
Rot. Bonds9

About 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide (PubChem CID 107471013) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
PubChem CID107471013
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
SMILESCCN(CC)CCCNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H33N3O/c1-6-18(7-2)10-8-9-17-14(19)13(12-16)11-15(3,4)5/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyNMGYPPRIPLRDJJ-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.85
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
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
CID 107471842
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 107472677
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide (CID 107471013) is 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide is CCN(CC)CCCNC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
The InChIKey is NMGYPPRIPLRDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-18(7-2)10-8-9-17-14(19)13(12-16)11-15(3,4)5/h13H,6-12,16H2,1-5H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide has a molecular weight of 271.45 g/mol, XLogP of 1.85, 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-(diethylamino)propyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107471013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).