N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine

C14H23N3 — CID 63633114

IUPACN-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
SMILESCN(CC1CCCC1)C(CN)c1ccncc1
InChIInChI=1S/C14H23N3/c1-17(11-12-4-2-3-5-12)14(10-15)13-6-8-16-9-7-13/h6-9,12,14H,2-5,10-11,15H2,1H3
InChIKeyWNDQUVIIDBPRGF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.20
Rot. Bonds5

About N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine

N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine (PubChem CID 63633114) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
PubChem CID63633114
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
SMILESCN(CC1CCCC1)C(CN)c1ccncc1
InChIInChI=1S/C14H23N3/c1-17(11-12-4-2-3-5-12)14(10-15)13-6-8-16-9-7-13/h6-9,12,14H,2-5,10-11,15H2,1H3
InChIKeyWNDQUVIIDBPRGF-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine (CID 63633114) is N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine is CN(CC1CCCC1)C(CN)c1ccncc1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine?
The InChIKey is WNDQUVIIDBPRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(11-12-4-2-3-5-12)14(10-15)13-6-8-16-9-7-13/h6-9,12,14H,2-5,10-11,15H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine?
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63633114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).