N-(2-chloroethyl)cyclooctanamine

C10H20ClN — CID 18316363

IUPACN-(2-chloroethyl)cyclooctanamine
SMILESClCCNC1CCCCCCC1
InChIInChI=1S/C10H20ClN/c11-8-9-12-10-6-4-2-1-3-5-7-10/h10,12H,1-9H2
InChIKeyPFZHUSBJUHCZMQ-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.93
Rot. Bonds3

About N-(2-chloroethyl)cyclooctanamine

N-(2-chloroethyl)cyclooctanamine (PubChem CID 18316363) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-(2-chloroethyl)cyclooctanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)cyclooctanamine
PubChem CID18316363
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-(2-chloroethyl)cyclooctanamine
SMILESClCCNC1CCCCCCC1
InChIInChI=1S/C10H20ClN/c11-8-9-12-10-6-4-2-1-3-5-7-10/h10,12H,1-9H2
InChIKeyPFZHUSBJUHCZMQ-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N'-cycloundecylethane-1,2-diamine
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N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-(chloromethyl)cyclobutanamine
CID 115262784
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
N-(2-methoxyethyl)cycloheptanamine
CID 22484521

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)cyclooctanamine?
The IUPAC name of N-(2-chloroethyl)cyclooctanamine (CID 18316363) is N-(2-chloroethyl)cyclooctanamine.
What is the SMILES notation for N-(2-chloroethyl)cyclooctanamine?
The canonical SMILES for N-(2-chloroethyl)cyclooctanamine is ClCCNC1CCCCCCC1.
What is the InChIKey of N-(2-chloroethyl)cyclooctanamine?
The InChIKey is PFZHUSBJUHCZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c11-8-9-12-10-6-4-2-1-3-5-7-10/h10,12H,1-9H2.
What are the key properties of N-(2-chloroethyl)cyclooctanamine?
N-(2-chloroethyl)cyclooctanamine has a molecular weight of 189.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)cyclooctanamine is sourced from PubChem (CID 18316363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).