5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine

C11H24ClN — CID 61287130

IUPAC5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)N(C)CCCCCCl
InChIInChI=1S/C11H24ClN/c1-4-11(5-2)13(3)10-8-6-7-9-12/h11H,4-10H2,1-3H3
InChIKeyKDJXIWJUHUBVSR-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.52
Rot. Bonds8

About 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine

5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine (PubChem CID 61287130) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
PubChem CID61287130
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)N(C)CCCCCCl
InChIInChI=1S/C11H24ClN/c1-4-11(5-2)13(3)10-8-6-7-9-12/h11H,4-10H2,1-3H3
InChIKeyKDJXIWJUHUBVSR-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine (CID 61287130) is 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine is CCC(CC)N(C)CCCCCCl.
What is the InChIKey of 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine?
The InChIKey is KDJXIWJUHUBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN/c1-4-11(5-2)13(3)10-8-6-7-9-12/h11H,4-10H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine?
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine has a molecular weight of 205.77 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine is sourced from PubChem (CID 61287130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).