2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide

C13H27N3O — CID 64711426

IUPAC2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide
SMILESCCCN(CC1CC1)C(C)CC(C)(N)C(N)=O
InChIInChI=1S/C13H27N3O/c1-4-7-16(9-11-5-6-11)10(2)8-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyMDVDPVSCIJMPMV-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.09
Rot. Bonds8

About 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide

2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide (PubChem CID 64711426) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide
PubChem CID64711426
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide
SMILESCCCN(CC1CC1)C(C)CC(C)(N)C(N)=O
InChIInChI=1S/C13H27N3O/c1-4-7-16(9-11-5-6-11)10(2)8-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyMDVDPVSCIJMPMV-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64705483
2-amino-N-(cyclopropylmethyl)-2-methyl-N-propylbutanamide
CID 79796804
2-amino-4-[cyclohexyl(ethyl)amino]-2-methylpentanamide
CID 64725354
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 62430049
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
2-amino-2-methyl-4-[methyl-(2-methylcyclohexyl)amino]pentanamide
CID 64711459
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2-amino-2-methyl-4-[methyl-(3-methylcyclohexyl)amino]pentanamide
CID 64709478
2-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methylpentanamide
CID 64710434
2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide
CID 64711535

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide?
The IUPAC name of 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide (CID 64711426) is 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide.
What is the SMILES notation for 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide?
The canonical SMILES for 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide is CCCN(CC1CC1)C(C)CC(C)(N)C(N)=O.
What is the InChIKey of 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide?
The InChIKey is MDVDPVSCIJMPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-7-16(9-11-5-6-11)10(2)8-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17).
What are the key properties of 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide?
2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide has a molecular weight of 241.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide is sourced from PubChem (CID 64711426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).