N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide

C22H48N6O2 — CID 19920859

IUPACN,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide
SMILESNCCCCCCNC(=O)CC(NCCCCCCN)C(=O)NCCCCCCN
InChIInChI=1S/C22H48N6O2/c23-13-7-1-4-10-16-26-20(22(30)28-18-12-6-3-9-15-25)19-21(29)27-17-11-5-2-8-14-24/h20,26H,1-19,23-25H2,(H,27,29)(H,28,30)
InChIKeyURIFRKZNOXMWFA-UHFFFAOYSA-N
MW428.67 g/mol
LogP1.12
Rot. Bonds22

About N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide

N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide (PubChem CID 19920859) has the molecular formula C22H48N6O2 and a molecular weight of 428.67 g/mol. Its IUPAC name is N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide.

Molecular Properties

Compound NameN,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide
PubChem CID19920859
Molecular FormulaC22H48N6O2
Molecular Weight428.67 g/mol
Exact Mass428.38
IUPAC NameN,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide
SMILESNCCCCCCNC(=O)CC(NCCCCCCN)C(=O)NCCCCCCN
InChIInChI=1S/C22H48N6O2/c23-13-7-1-4-10-16-26-20(22(30)28-18-12-6-3-9-15-25)19-21(29)27-17-11-5-2-8-14-24/h20,26H,1-19,23-25H2,(H,27,29)(H,28,30)
InChIKeyURIFRKZNOXMWFA-UHFFFAOYSA-N
XLogP1.12
TPSA148.29 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.67
LogP ≤ 51.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
4-oxo-4-(pentylamino)-3-(propylamino)butanoic acid;4-oxo-N-pentyl-3-(propylamino)pentanamide
CID 157140261
(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
CID 170069625

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide?
The IUPAC name of N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide (CID 19920859) is N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide.
What is the SMILES notation for N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide?
The canonical SMILES for N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide is NCCCCCCNC(=O)CC(NCCCCCCN)C(=O)NCCCCCCN.
What is the InChIKey of N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide?
The InChIKey is URIFRKZNOXMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N6O2/c23-13-7-1-4-10-16-26-20(22(30)28-18-12-6-3-9-15-25)19-21(29)27-17-11-5-2-8-14-24/h20,26H,1-19,23-25H2,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide?
N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide has a molecular weight of 428.67 g/mol, XLogP of 1.12, 22 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-aminohexyl)-2-(6-aminohexylamino)butanediamide is sourced from PubChem (CID 19920859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).