N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine

C18H32ClNO — CID 102900746

IUPACN-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCC2(CCCCC2)O1)C1CCCCC1
InChIInChI=1S/C18H32ClNO/c19-13-14-20(16-7-3-1-4-8-16)15-17-9-12-18(21-17)10-5-2-6-11-18/h16-17H,1-15H2
InChIKeyYTZABOAQAKRPHA-UHFFFAOYSA-N
MW313.91 g/mol
LogP4.74
Rot. Bonds5

About N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine

N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine (PubChem CID 102900746) has the molecular formula C18H32ClNO and a molecular weight of 313.91 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
PubChem CID102900746
Molecular FormulaC18H32ClNO
Molecular Weight313.91 g/mol
Exact Mass313.22
IUPAC NameN-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCC2(CCCCC2)O1)C1CCCCC1
InChIInChI=1S/C18H32ClNO/c19-13-14-20(16-7-3-1-4-8-16)15-17-9-12-18(21-17)10-5-2-6-11-18/h16-17H,1-15H2
InChIKeyYTZABOAQAKRPHA-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 54.74
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[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
2-[Cyclohexyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848134
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)cyclopentanamine
CID 102900743
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
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900748
1-(2-Chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
CID 102900751
2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900753
3-Chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900755

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine (CID 102900746) is N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine is ClCCN(CC1CCC2(CCCCC2)O1)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine?
The InChIKey is YTZABOAQAKRPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClNO/c19-13-14-20(16-7-3-1-4-8-16)15-17-9-12-18(21-17)10-5-2-6-11-18/h16-17H,1-15H2.
What are the key properties of N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine?
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine has a molecular weight of 313.91 g/mol, XLogP of 4.74, 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[4.5]decan-2-ylmethyl)cyclohexanamine is sourced from PubChem (CID 102900746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).