N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine

C15H30N2 — CID 55089985

IUPACN-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC1CCCC1)CC1CC1
InChIInChI=1S/C15H30N2/c1-2-10-17(13-15-7-8-15)11-9-16-12-14-5-3-4-6-14/h14-16H,2-13H2,1H3
InChIKeyWYJPMQISLILGTI-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds9

About N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine

N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine (PubChem CID 55089985) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
PubChem CID55089985
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC1CCCC1)CC1CC1
InChIInChI=1S/C15H30N2/c1-2-10-17(13-15-7-8-15)11-9-16-12-14-5-3-4-6-14/h14-16H,2-13H2,1H3
InChIKeyWYJPMQISLILGTI-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
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,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62561222
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561686
N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 63503578
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine (CID 55089985) is N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine is CCCN(CCNCC1CCCC1)CC1CC1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The InChIKey is WYJPMQISLILGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-10-17(13-15-7-8-15)11-9-16-12-14-5-3-4-6-14/h14-16H,2-13H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 55089985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).