N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine

C14H26ClNO — CID 65165614

IUPACN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine
SMILESClCCN(CCCC1CCCO1)C1CCCC1
InChIInChI=1S/C14H26ClNO/c15-9-11-16(13-5-1-2-6-13)10-3-7-14-8-4-12-17-14/h13-14H,1-12H2
InChIKeyQSTBVOFKQHYGME-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.43
Rot. Bonds7

About N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine

N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine (PubChem CID 65165614) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine
PubChem CID65165614
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine
SMILESClCCN(CCCC1CCCO1)C1CCCC1
InChIInChI=1S/C14H26ClNO/c15-9-11-16(13-5-1-2-6-13)10-3-7-14-8-4-12-17-14/h13-14H,1-12H2
InChIKeyQSTBVOFKQHYGME-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine (CID 65165614) is N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine is ClCCN(CCCC1CCCO1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine?
The InChIKey is QSTBVOFKQHYGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c15-9-11-16(13-5-1-2-6-13)10-3-7-14-8-4-12-17-14/h13-14H,1-12H2.
What are the key properties of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine?
N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine has a molecular weight of 259.82 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopentanamine is sourced from PubChem (CID 65165614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).