N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride

C21H44ClN3 — CID 90674844

IUPACN'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCCCNC(CCC1CCCC1)CCC1CCCC1
InChIInChI=1S/C21H43N3.ClH/c22-15-5-16-23-17-6-18-24-21(13-11-19-7-1-2-8-19)14-12-20-9-3-4-10-20;/h19-21,23-24H,1-18,22H2;1H
InChIKeyBZOLDSVYXCTMDO-UHFFFAOYSA-N
MW374.06 g/mol
LogP4.64
Rot. Bonds14

About N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride

N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride (PubChem CID 90674844) has the molecular formula C21H44ClN3 and a molecular weight of 374.06 g/mol. Its IUPAC name is N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
PubChem CID90674844
Molecular FormulaC21H44ClN3
Molecular Weight374.06 g/mol
Exact Mass373.32
IUPAC NameN'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCCCNC(CCC1CCCC1)CCC1CCCC1
InChIInChI=1S/C21H43N3.ClH/c22-15-5-16-23-17-6-18-24-21(13-11-19-7-1-2-8-19)14-12-20-9-3-4-10-20;/h19-21,23-24H,1-18,22H2;1H
InChIKeyBZOLDSVYXCTMDO-UHFFFAOYSA-N
XLogP4.64
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.06
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90675692
N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine;trihydrochloride
CID 137633926
1,6-Hexanediamine, N,N'-bis(2,5-dimethylheptyl)-1,6-dimethyl-, dihydrochloride
CID 44809
1,4-Cyclohexanebis(methylamine), N,N'-dicyclopentyl-, dihydrochloride, (E)-
CID 70869
N'-[4-(cyclopentadecylmethylamino)butyl]butane-1,4-diamine;hydrochloride
CID 90675694
N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;trihydrochloride
CID 137657175
2-(Cyclopentylmethyl)pyrrolidine hydrochloride
CID 122163876
N,N'-bis(cyclopentylmethyl)butane-1,4-diamine
CID 6480883
N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine
CID 6480884
N-[[4-[(cyclopentylamino)methyl]cyclohexyl]methyl]cyclopentanamine
CID 70870
N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine
CID 90675693
N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine
CID 135321245

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride (CID 90674844) is N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride is Cl.NCCCNCCCNC(CCC1CCCC1)CCC1CCCC1.
What is the InChIKey of N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride?
The InChIKey is BZOLDSVYXCTMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3.ClH/c22-15-5-16-23-17-6-18-24-21(13-11-19-7-1-2-8-19)14-12-20-9-3-4-10-20;/h19-21,23-24H,1-18,22H2;1H.
What are the key properties of N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride?
N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride has a molecular weight of 374.06 g/mol, XLogP of 4.64, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,5-dicyclopentylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 90674844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).