2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide

C24H52N6O2 — CID 178155005

IUPAC2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide
SMILESCC(C)(C)CC(C)(N)C(=O)NCCCCCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C24H52N6O2/c1-23(2,3)20-24(4,26)22(32)30-18-7-5-6-12-21(31)29-19-11-17-28-15-9-8-14-27-16-10-13-25/h27-28H,5-20,25-26H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyJUVQQGZUGGDPFL-UHFFFAOYSA-N
MW456.72 g/mol
LogP1.63
Rot. Bonds20

About 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide

2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide (PubChem CID 178155005) has the molecular formula C24H52N6O2 and a molecular weight of 456.72 g/mol. Its IUPAC name is 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide
PubChem CID178155005
Molecular FormulaC24H52N6O2
Molecular Weight456.72 g/mol
Exact Mass456.42
IUPAC Name2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide
SMILESCC(C)(C)CC(C)(N)C(=O)NCCCCCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C24H52N6O2/c1-23(2,3)20-24(4,26)22(32)30-18-7-5-6-12-21(31)29-19-11-17-28-15-9-8-14-27-16-10-13-25/h27-28H,5-20,25-26H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyJUVQQGZUGGDPFL-UHFFFAOYSA-N
XLogP1.63
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 51.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide with MolForge

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Related Compounds

(Z)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]octadec-9-enamide
CID 10819608
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
(E)-N-[3-(4-aminobutylamino)propyl]octadec-9-enamide
CID 6366527
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
N-(4-aminobutyl)tetracosanamide
CID 171117181
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide?
The IUPAC name of 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide (CID 178155005) is 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide.
What is the SMILES notation for 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide?
The canonical SMILES for 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide is CC(C)(C)CC(C)(N)C(=O)NCCCCCC(=O)NCCCNCCCCNCCCN.
What is the InChIKey of 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide?
The InChIKey is JUVQQGZUGGDPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N6O2/c1-23(2,3)20-24(4,26)22(32)30-18-7-5-6-12-21(31)29-19-11-17-28-15-9-8-14-27-16-10-13-25/h27-28H,5-20,25-26H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide?
2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide has a molecular weight of 456.72 g/mol, XLogP of 1.63, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,4,4-trimethylpentanamide is sourced from PubChem (CID 178155005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).