6-chloro-N,N,5-trimethylhexan-3-amine

C9H20ClN — CID 88740860

IUPAC6-chloro-N,N,5-trimethylhexan-3-amine
SMILESCCC(CC(C)CCl)N(C)C
InChIInChI=1S/C9H20ClN/c1-5-9(11(3)4)6-8(2)7-10/h8-9H,5-7H2,1-4H3
InChIKeyJVKAVRNWBGPDFS-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.59
Rot. Bonds5

About 6-chloro-N,N,5-trimethylhexan-3-amine

6-chloro-N,N,5-trimethylhexan-3-amine (PubChem CID 88740860) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 6-chloro-N,N,5-trimethylhexan-3-amine.

Molecular Properties

Compound Name6-chloro-N,N,5-trimethylhexan-3-amine
PubChem CID88740860
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name6-chloro-N,N,5-trimethylhexan-3-amine
SMILESCCC(CC(C)CCl)N(C)C
InChIInChI=1S/C9H20ClN/c1-5-9(11(3)4)6-8(2)7-10/h8-9H,5-7H2,1-4H3
InChIKeyJVKAVRNWBGPDFS-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N,5-trimethylhexan-3-amine?
The IUPAC name of 6-chloro-N,N,5-trimethylhexan-3-amine (CID 88740860) is 6-chloro-N,N,5-trimethylhexan-3-amine.
What is the SMILES notation for 6-chloro-N,N,5-trimethylhexan-3-amine?
The canonical SMILES for 6-chloro-N,N,5-trimethylhexan-3-amine is CCC(CC(C)CCl)N(C)C.
What is the InChIKey of 6-chloro-N,N,5-trimethylhexan-3-amine?
The InChIKey is JVKAVRNWBGPDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-5-9(11(3)4)6-8(2)7-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 6-chloro-N,N,5-trimethylhexan-3-amine?
6-chloro-N,N,5-trimethylhexan-3-amine has a molecular weight of 177.72 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,5-trimethylhexan-3-amine is sourced from PubChem (CID 88740860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).