2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide

C15H31N3O — CID 64710348

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
SMILESCCCCCN(C)C(C)CC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-5-6-7-10-18(4)12(2)11-15(3,14(16)19)17-13-8-9-13/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyNKTRSRUUZXBDNV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds10

About 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide

2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide (PubChem CID 64710348) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
PubChem CID64710348
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
SMILESCCCCCN(C)C(C)CC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-5-6-7-10-18(4)12(2)11-15(3,14(16)19)17-13-8-9-13/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyNKTRSRUUZXBDNV-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
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-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 64704415
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide (CID 64710348) is 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide is CCCCCN(C)C(C)CC(C)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide?
The InChIKey is NKTRSRUUZXBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-6-7-10-18(4)12(2)11-15(3,14(16)19)17-13-8-9-13/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide?
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide is sourced from PubChem (CID 64710348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).