3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine

C11H22ClNO — CID 106306091

IUPAC3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine
SMILESClCCOCCCNCC1CCCC1
InChIInChI=1S/C11H22ClNO/c12-6-9-14-8-3-7-13-10-11-4-1-2-5-11/h11,13H,1-10H2
InChIKeyQBNLENIYDOUNFH-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.41
Rot. Bonds8

About 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine

3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine (PubChem CID 106306091) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine
PubChem CID106306091
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine
SMILESClCCOCCCNCC1CCCC1
InChIInChI=1S/C11H22ClNO/c12-6-9-14-8-3-7-13-10-11-4-1-2-5-11/h11,13H,1-10H2
InChIKeyQBNLENIYDOUNFH-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
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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Related Compounds

2-[3-(cyclooctylmethylamino)propoxy]ethanol
CID 113362814
2-[3-(cycloheptylmethylamino)propoxy]ethanol
CID 103992574
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine (CID 106306091) is 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine is ClCCOCCCNCC1CCCC1.
What is the InChIKey of 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine?
The InChIKey is QBNLENIYDOUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c12-6-9-14-8-3-7-13-10-11-4-1-2-5-11/h11,13H,1-10H2.
What are the key properties of 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine?
3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine has a molecular weight of 219.76 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine is sourced from PubChem (CID 106306091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).