N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine

C19H44N6 — CID 11617376

IUPACN'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine
SMILESNCCCCCN(C/C=C/CN(CCCN)CCCCN)CCCN
InChIInChI=1S/C19H44N6/c20-10-2-1-4-14-24(18-8-12-22)16-6-7-17-25(19-9-13-23)15-5-3-11-21/h6-7H,1-5,8-23H2/b7-6+
InChIKeyCFBBKXOHGPAWMN-VOTSOKGWSA-N
MW356.60 g/mol
LogP0.71
Rot. Bonds19

About N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine

N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine (PubChem CID 11617376) has the molecular formula C19H44N6 and a molecular weight of 356.60 g/mol. Its IUPAC name is N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine
PubChem CID11617376
Molecular FormulaC19H44N6
Molecular Weight356.60 g/mol
Exact Mass356.36
IUPAC NameN'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine
SMILESNCCCCCN(C/C=C/CN(CCCN)CCCCN)CCCN
InChIInChI=1S/C19H44N6/c20-10-2-1-4-14-24(18-8-12-22)16-6-7-17-25(19-9-13-23)15-5-3-11-21/h6-7H,1-5,8-23H2/b7-6+
InChIKeyCFBBKXOHGPAWMN-VOTSOKGWSA-N
XLogP0.71
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N,N-diethylicos-9-ene-1,20-diamine
CID 154402145
N,N'-bis(3-aminopropyl)-N,N'-bis(nonadec-9-enyl)butane-1,4-diamine
CID 76557641
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine?
The IUPAC name of N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine (CID 11617376) is N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine.
What is the SMILES notation for N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine?
The canonical SMILES for N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine is NCCCCCN(C/C=C/CN(CCCN)CCCCN)CCCN.
What is the InChIKey of N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine?
The InChIKey is CFBBKXOHGPAWMN-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H44N6/c20-10-2-1-4-14-24(18-8-12-22)16-6-7-17-25(19-9-13-23)15-5-3-11-21/h6-7H,1-5,8-23H2/b7-6+.
What are the key properties of N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine?
N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine has a molecular weight of 356.60 g/mol, XLogP of 0.71, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-[4-aminobutyl(3-aminopropyl)amino]but-2-enyl]-N'-(3-aminopropyl)pentane-1,5-diamine is sourced from PubChem (CID 11617376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).