5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide

C14H31N3O — CID 82011389

IUPAC5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
SMILESCC(CN)CCC(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)17(4)10-6-5-9-16-14(18)8-7-13(3)11-15/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyQSNMRACLCXUZGD-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds10

About 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide

5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide (PubChem CID 82011389) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
PubChem CID82011389
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
SMILESCC(CN)CCC(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)17(4)10-6-5-9-16-14(18)8-7-13(3)11-15/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyQSNMRACLCXUZGD-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.60
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

5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
CID 81086781
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
4-amino-5-[4-[methyl(propan-2-yl)amino]butylamino]-5-oxopentanoic acid
CID 64888379
2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide (CID 82011389) is 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide is CC(CN)CCC(=O)NCCCCN(C)C(C)C.
What is the InChIKey of 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide?
The InChIKey is QSNMRACLCXUZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(2)17(4)10-6-5-9-16-14(18)8-7-13(3)11-15/h12-13H,5-11,15H2,1-4H3,(H,16,18).
What are the key properties of 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide?
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide is sourced from PubChem (CID 82011389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).