N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine

C23H48N4 — CID 21396664

IUPACN'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCNC(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C23H48N4/c24-15-16-25-17-18-26-19-20-27-23(13-11-21-7-3-1-4-8-21)14-12-22-9-5-2-6-10-22/h21-23,25-27H,1-20,24H2
InChIKeyFFOYDUGHYOMKFC-UHFFFAOYSA-N
MW380.67 g/mol
LogP3.80
Rot. Bonds15

About N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 21396664) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID21396664
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC NameN'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCNC(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C23H48N4/c24-15-16-25-17-18-26-19-20-27-23(13-11-21-7-3-1-4-8-21)14-12-22-9-5-2-6-10-22/h21-23,25-27H,1-20,24H2
InChIKeyFFOYDUGHYOMKFC-UHFFFAOYSA-N
XLogP3.80
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
N'-[3-(1,3-dicyclohexylpropan-2-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674828
N'-[3-(1,5-dicyclohexylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674830
N'-[3-(1,7-dicyclohexylheptan-4-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674831
N'-[3-(1,9-dicyclohexylnonan-5-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674832
N'-[2-(1,5-dicyclohexylpentan-3-ylamino)ethyl]ethane-1,2-diamine;hydrochloride
CID 90674834
N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 90674836
N'-[2-[2-(1,7-dicyclohexylheptan-4-ylamino)ethylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 90674837
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine;hydrochloride
CID 90674839

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 21396664) is N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine is NCCNCCNCCNC(CCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is FFOYDUGHYOMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4/c24-15-16-25-17-18-26-19-20-27-23(13-11-21-7-3-1-4-8-21)14-12-22-9-5-2-6-10-22/h21-23,25-27H,1-20,24H2.
What are the key properties of N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 380.67 g/mol, XLogP of 3.80, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 21396664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).