2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine

C11H17ClN2 — CID 63560015

IUPAC2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2/c1-4-10(13-3)8(2)11-6-5-9(12)7-14-11/h5-8,10,13H,4H2,1-3H3
InChIKeySRSDWRWBRWWYDN-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.84
Rot. Bonds4

About 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine

2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine (PubChem CID 63560015) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
PubChem CID63560015
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2/c1-4-10(13-3)8(2)11-6-5-9(12)7-14-11/h5-8,10,13H,4H2,1-3H3
InChIKeySRSDWRWBRWWYDN-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine (CID 63560015) is 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine is CCC(NC)C(C)c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine?
The InChIKey is SRSDWRWBRWWYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-10(13-3)8(2)11-6-5-9(12)7-14-11/h5-8,10,13H,4H2,1-3H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine?
2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine has a molecular weight of 212.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine is sourced from PubChem (CID 63560015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).