2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine

C14H21Cl2N3 — CID 116519825

IUPAC2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCN(Cc1cnc(Cl)cc1Cl)C1CCCC1CN
InChIInChI=1S/C14H21Cl2N3/c1-2-19(13-5-3-4-10(13)7-17)9-11-8-18-14(16)6-12(11)15/h6,8,10,13H,2-5,7,9,17H2,1H3
InChIKeyGRNCGFLZOQWHSS-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.34
Rot. Bonds5

About 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine

2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine (PubChem CID 116519825) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
PubChem CID116519825
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCN(Cc1cnc(Cl)cc1Cl)C1CCCC1CN
InChIInChI=1S/C14H21Cl2N3/c1-2-19(13-5-3-4-10(13)7-17)9-11-8-18-14(16)6-12(11)15/h6,8,10,13H,2-5,7,9,17H2,1H3
InChIKeyGRNCGFLZOQWHSS-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine (CID 116519825) is 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine is CCN(Cc1cnc(Cl)cc1Cl)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is GRNCGFLZOQWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-2-19(13-5-3-4-10(13)7-17)9-11-8-18-14(16)6-12(11)15/h6,8,10,13H,2-5,7,9,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 302.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 116519825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).