2-chloro-N-(cycloheptylmethyl)ethanamine

C10H20ClN — CID 18316107

IUPAC2-chloro-N-(cycloheptylmethyl)ethanamine
SMILESClCCNCC1CCCCCC1
InChIInChI=1S/C10H20ClN/c11-7-8-12-9-10-5-3-1-2-4-6-10/h10,12H,1-9H2
InChIKeyIPFODZYDQVXSAE-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-N-(cycloheptylmethyl)ethanamine

2-chloro-N-(cycloheptylmethyl)ethanamine (PubChem CID 18316107) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 2-chloro-N-(cycloheptylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-(cycloheptylmethyl)ethanamine
PubChem CID18316107
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name2-chloro-N-(cycloheptylmethyl)ethanamine
SMILESClCCNCC1CCCCCC1
InChIInChI=1S/C10H20ClN/c11-7-8-12-9-10-5-3-1-2-4-6-10/h10,12H,1-9H2
InChIKeyIPFODZYDQVXSAE-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 2-chloro-N-(cycloheptylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-(cycloheptylmethyl)ethanamine (CID 18316107) is 2-chloro-N-(cycloheptylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-(cycloheptylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-(cycloheptylmethyl)ethanamine is ClCCNCC1CCCCCC1.
What is the InChIKey of 2-chloro-N-(cycloheptylmethyl)ethanamine?
The InChIKey is IPFODZYDQVXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c11-7-8-12-9-10-5-3-1-2-4-6-10/h10,12H,1-9H2.
What are the key properties of 2-chloro-N-(cycloheptylmethyl)ethanamine?
2-chloro-N-(cycloheptylmethyl)ethanamine has a molecular weight of 189.73 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cycloheptylmethyl)ethanamine is sourced from PubChem (CID 18316107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).