1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C15H25N3 — CID 55034763

IUPAC1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)C1CCCC1
InChIInChI=1S/C15H25N3/c1-2-18(12-13-7-9-17-10-8-13)15(11-16)14-5-3-4-6-14/h7-10,14-15H,2-6,11-12,16H2,1H3
InChIKeyZRXWJCXAVGHRLE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.42
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 55034763) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID55034763
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)C1CCCC1
InChIInChI=1S/C15H25N3/c1-2-18(12-13-7-9-17-10-8-13)15(11-16)14-5-3-4-6-14/h7-10,14-15H,2-6,11-12,16H2,1H3
InChIKeyZRXWJCXAVGHRLE-UHFFFAOYSA-N
XLogP2.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
1-cyclohexyl-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63954320
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 55034763) is 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccncc1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZRXWJCXAVGHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-18(12-13-7-9-17-10-8-13)15(11-16)14-5-3-4-6-14/h7-10,14-15H,2-6,11-12,16H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55034763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).