N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine

C19H44N4 — CID 135177575

IUPACN,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
SMILESCCCCN(CCCN)CCC(CC)CCN(CC)CCCN
InChIInChI=1S/C19H44N4/c1-4-7-14-23(16-9-13-21)18-11-19(5-2)10-17-22(6-3)15-8-12-20/h19H,4-18,20-21H2,1-3H3
InChIKeyNPLZKOYNWQISRN-UHFFFAOYSA-N
MW328.59 g/mol
LogP2.91
Rot. Bonds17

About N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine

N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine (PubChem CID 135177575) has the molecular formula C19H44N4 and a molecular weight of 328.59 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
PubChem CID135177575
Molecular FormulaC19H44N4
Molecular Weight328.59 g/mol
Exact Mass328.36
IUPAC NameN,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
SMILESCCCCN(CCCN)CCC(CC)CCN(CC)CCCN
InChIInChI=1S/C19H44N4/c1-4-7-14-23(16-9-13-21)18-11-19(5-2)10-17-22(6-3)15-8-12-20/h19H,4-18,20-21H2,1-3H3
InChIKeyNPLZKOYNWQISRN-UHFFFAOYSA-N
XLogP2.91
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
CID 134527343
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N'-(8-octylhexadecyl)-N'-undecylpropane-1,3-diamine
CID 170756701
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine?
The IUPAC name of N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine (CID 135177575) is N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine?
The canonical SMILES for N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine is CCCCN(CCCN)CCC(CC)CCN(CC)CCCN.
What is the InChIKey of N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine?
The InChIKey is NPLZKOYNWQISRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4/c1-4-7-14-23(16-9-13-21)18-11-19(5-2)10-17-22(6-3)15-8-12-20/h19H,4-18,20-21H2,1-3H3.
What are the key properties of N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine?
N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine has a molecular weight of 328.59 g/mol, XLogP of 2.91, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine is sourced from PubChem (CID 135177575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).