N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine

C28H65N7 — CID 134527343

IUPACN'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
SMILESCCCC[C@H](CC)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChIInChI=1S/C28H65N7/c1-3-5-13-28(4-2)14-6-19-33(24-11-26-34(20-7-15-29)21-8-16-30)25-12-27-35(22-9-17-31)23-10-18-32/h28H,3-27,29-32H2,1-2H3/t28-/m0/s1
InChIKeyDUCQJKMENIPNLW-NDEPHWFRSA-N
MW499.88 g/mol
LogP3.06
Rot. Bonds28

About N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine

N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine (PubChem CID 134527343) has the molecular formula C28H65N7 and a molecular weight of 499.88 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
PubChem CID134527343
Molecular FormulaC28H65N7
Molecular Weight499.88 g/mol
Exact Mass499.53
IUPAC NameN'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
SMILESCCCC[C@H](CC)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChIInChI=1S/C28H65N7/c1-3-5-13-28(4-2)14-6-19-33(24-11-26-34(20-7-15-29)21-8-16-30)25-12-27-35(22-9-17-31)23-10-18-32/h28H,3-27,29-32H2,1-2H3/t28-/m0/s1
InChIKeyDUCQJKMENIPNLW-NDEPHWFRSA-N
XLogP3.06
TPSA113.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.88
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine with MolForge

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Related Compounds

N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
CID 135177575
N'-(8-octylhexadecyl)-N'-undecylpropane-1,3-diamine
CID 170756701
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
4-ethyl-N,N-dipropyldodecan-1-amine
CID 174349455
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine
CID 135172442
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine (CID 134527343) is N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine is CCCC[C@H](CC)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine?
The InChIKey is DUCQJKMENIPNLW-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H65N7/c1-3-5-13-28(4-2)14-6-19-33(24-11-26-34(20-7-15-29)21-8-16-30)25-12-27-35(22-9-17-31)23-10-18-32/h28H,3-27,29-32H2,1-2H3/t28-/m0/s1.
What are the key properties of N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine?
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine has a molecular weight of 499.88 g/mol, XLogP of 3.06, 28 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 134527343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).