N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine

C18H33N — CID 114817674

IUPACN-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine
SMILESCC1CCC(NC2CCC3(CCCC3)CC2)C(C)C1
InChIInChI=1S/C18H33N/c1-14-5-6-17(15(2)13-14)19-16-7-11-18(12-8-16)9-3-4-10-18/h14-17,19H,3-13H2,1-2H3
InChIKeySZHVMXALWZOVED-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.90
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine

N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine (PubChem CID 114817674) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine
PubChem CID114817674
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine
SMILESCC1CCC(NC2CCC3(CCCC3)CC2)C(C)C1
InChIInChI=1S/C18H33N/c1-14-5-6-17(15(2)13-14)19-16-7-11-18(12-8-16)9-3-4-10-18/h14-17,19H,3-13H2,1-2H3
InChIKeySZHVMXALWZOVED-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine (CID 114817674) is N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine is CC1CCC(NC2CCC3(CCCC3)CC2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine?
The InChIKey is SZHVMXALWZOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-14-5-6-17(15(2)13-14)19-16-7-11-18(12-8-16)9-3-4-10-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine?
N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine has a molecular weight of 263.47 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).