N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine

C16H34N2 — CID 55087820

IUPACN',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCCNC1CCCC1
InChIInChI=1S/C16H34N2/c1-3-5-13-18(14-6-4-2)15-9-12-17-16-10-7-8-11-16/h16-17H,3-15H2,1-2H3
InChIKeyPJUKTQSWVKROQJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds11

About N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine

N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine (PubChem CID 55087820) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
PubChem CID55087820
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCCNC1CCCC1
InChIInChI=1S/C16H34N2/c1-3-5-13-18(14-6-4-2)15-9-12-17-16-10-7-8-11-16/h16-17H,3-15H2,1-2H3
InChIKeyPJUKTQSWVKROQJ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
N-dodecylcyclohexanamine
CID 3679395
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-butylcyclohexanamine;dimethylarsanyloxy(dimethyl)arsane
CID 174757062

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine (CID 55087820) is N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine is CCCCN(CCCC)CCCNC1CCCC1.
What is the InChIKey of N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine?
The InChIKey is PJUKTQSWVKROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-5-13-18(14-6-4-2)15-9-12-17-16-10-7-8-11-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine?
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine is sourced from PubChem (CID 55087820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).