N-(6-chlorohexyl)-N-methylcycloheptanamine

C14H28ClN — CID 62228773

IUPACN-(6-chlorohexyl)-N-methylcycloheptanamine
SMILESCN(CCCCCCCl)C1CCCCCC1
InChIInChI=1S/C14H28ClN/c1-16(13-9-5-4-8-12-15)14-10-6-2-3-7-11-14/h14H,2-13H2,1H3
InChIKeySXKPMZQLSCJWRV-UHFFFAOYSA-N
MW245.84 g/mol
LogP4.44
Rot. Bonds7

About N-(6-chlorohexyl)-N-methylcycloheptanamine

N-(6-chlorohexyl)-N-methylcycloheptanamine (PubChem CID 62228773) has the molecular formula C14H28ClN and a molecular weight of 245.84 g/mol. Its IUPAC name is N-(6-chlorohexyl)-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-(6-chlorohexyl)-N-methylcycloheptanamine
PubChem CID62228773
Molecular FormulaC14H28ClN
Molecular Weight245.84 g/mol
Exact Mass245.19
IUPAC NameN-(6-chlorohexyl)-N-methylcycloheptanamine
SMILESCN(CCCCCCCl)C1CCCCCC1
InChIInChI=1S/C14H28ClN/c1-16(13-9-5-4-8-12-15)14-10-6-2-3-7-11-14/h14H,2-13H2,1H3
InChIKeySXKPMZQLSCJWRV-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 54.44
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 N-(6-chlorohexyl)-N-methylcycloheptanamine?
The IUPAC name of N-(6-chlorohexyl)-N-methylcycloheptanamine (CID 62228773) is N-(6-chlorohexyl)-N-methylcycloheptanamine.
What is the SMILES notation for N-(6-chlorohexyl)-N-methylcycloheptanamine?
The canonical SMILES for N-(6-chlorohexyl)-N-methylcycloheptanamine is CN(CCCCCCCl)C1CCCCCC1.
What is the InChIKey of N-(6-chlorohexyl)-N-methylcycloheptanamine?
The InChIKey is SXKPMZQLSCJWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClN/c1-16(13-9-5-4-8-12-15)14-10-6-2-3-7-11-14/h14H,2-13H2,1H3.
What are the key properties of N-(6-chlorohexyl)-N-methylcycloheptanamine?
N-(6-chlorohexyl)-N-methylcycloheptanamine has a molecular weight of 245.84 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-N-methylcycloheptanamine is sourced from PubChem (CID 62228773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).