6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine

C11H24ClNO — CID 62228205

IUPAC6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine
SMILESCOCC(C)N(C)CCCCCCCl
InChIInChI=1S/C11H24ClNO/c1-11(10-14-3)13(2)9-7-5-4-6-8-12/h11H,4-10H2,1-3H3
InChIKeyOGPNBRNVWTYPKR-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.75
Rot. Bonds9

About 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine

6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine (PubChem CID 62228205) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine
PubChem CID62228205
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine
SMILESCOCC(C)N(C)CCCCCCCl
InChIInChI=1S/C11H24ClNO/c1-11(10-14-3)13(2)9-7-5-4-6-8-12/h11H,4-10H2,1-3H3
InChIKeyOGPNBRNVWTYPKR-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine?
The IUPAC name of 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine (CID 62228205) is 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine?
The canonical SMILES for 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine is COCC(C)N(C)CCCCCCCl.
What is the InChIKey of 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine?
The InChIKey is OGPNBRNVWTYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-11(10-14-3)13(2)9-7-5-4-6-8-12/h11H,4-10H2,1-3H3.
What are the key properties of 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine?
6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 62228205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).