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

C17H30ClNO — CID 102900745

IUPACN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C17H30ClNO/c18-12-13-19(15-6-2-1-3-7-15)14-16-8-11-17(20-16)9-4-5-10-17/h15-16H,1-14H2
InChIKeyANCZIVWPFOGUDA-UHFFFAOYSA-N
MW299.89 g/mol
LogP4.35
Rot. Bonds5

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

N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine (PubChem CID 102900745) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
PubChem CID102900745
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C17H30ClNO/c18-12-13-19(15-6-2-1-3-7-15)14-16-8-11-17(20-16)9-4-5-10-17/h15-16H,1-14H2
InChIKeyANCZIVWPFOGUDA-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.35
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-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848105
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848122
2-[Cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 102900029
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
4-Chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900740
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[4.4]nonan-2-ylmethyl)cyclopentanamine
CID 102900743

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine (CID 102900745) is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine is ClCCN(CC1CCC2(CCCC2)O1)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine?
The InChIKey is ANCZIVWPFOGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO/c18-12-13-19(15-6-2-1-3-7-15)14-16-8-11-17(20-16)9-4-5-10-17/h15-16H,1-14H2.
What are the key properties of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine?
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine has a molecular weight of 299.89 g/mol, XLogP of 4.35, 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)cyclohexanamine is sourced from PubChem (CID 102900745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).