N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine

C16H28ClNO — CID 102900743

IUPACN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
SMILESClCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H28ClNO/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-13H2
InChIKeyTZHYPSMJDSIPRI-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.96
Rot. Bonds5

About N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine

N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine (PubChem CID 102900743) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
PubChem CID102900743
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
SMILESClCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H28ClNO/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-13H2
InChIKeyTZHYPSMJDSIPRI-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
2-[Cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102898017
2-[Cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 102900030
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900741
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900742
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
CID 102900745
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
CID 102900746
2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900747
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900748

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine (CID 102900743) is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine is ClCCN(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
The InChIKey is TZHYPSMJDSIPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-13H2.
What are the key properties of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine has a molecular weight of 285.86 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 102900743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).