1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine

C15H33N3 — CID 55087417

IUPAC1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine
SMILESCCCN(CCN(C)C)C(C)CNC1CCCC1
InChIInChI=1S/C15H33N3/c1-5-10-18(12-11-17(3)4)14(2)13-16-15-8-6-7-9-15/h14-16H,5-13H2,1-4H3
InChIKeyYNUAZWGBVMEZQJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine

1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine (PubChem CID 55087417) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine
PubChem CID55087417
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine
SMILESCCCN(CCN(C)C)C(C)CNC1CCCC1
InChIInChI=1S/C15H33N3/c1-5-10-18(12-11-17(3)4)14(2)13-16-15-8-6-7-9-15/h14-16H,5-13H2,1-4H3
InChIKeyYNUAZWGBVMEZQJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 55088001
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62569636
2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62424980
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568171
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 115685053
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N-(2-methylbutyl)cyclopentanamine
CID 43200714
1-(cyclooctylamino)propan-2-ol
CID 20539535

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine (CID 55087417) is 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine is CCCN(CCN(C)C)C(C)CNC1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine?
The InChIKey is YNUAZWGBVMEZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-10-18(12-11-17(3)4)14(2)13-16-15-8-6-7-9-15/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine?
1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 55087417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).