5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide

C14H31N3O — CID 82683387

IUPAC5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-11(2)17(12(3)4)9-8-16-14(18)7-6-13(5)10-15/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyWBHUQXSTEMEVOR-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds9

About 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide

5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide (PubChem CID 82683387) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
PubChem CID82683387
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-11(2)17(12(3)4)9-8-16-14(18)7-6-13(5)10-15/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyWBHUQXSTEMEVOR-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
5-amino-4-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114617228

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide (CID 82683387) is 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide is CC(CN)CCC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide?
The InChIKey is WBHUQXSTEMEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-11(2)17(12(3)4)9-8-16-14(18)7-6-13(5)10-15/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide?
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide is sourced from PubChem (CID 82683387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).