N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine

C12H23NO2 — CID 131175670

IUPACN-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2OCCO2)C(C)C1
InChIInChI=1S/C12H23NO2/c1-9-3-4-11(10(2)7-9)13-8-12-14-5-6-15-12/h9-13H,3-8H2,1-2H3
InChIKeyZVJWWEIZVCRMIJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.77
Rot. Bonds3

About N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine

N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 131175670) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID131175670
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2OCCO2)C(C)C1
InChIInChI=1S/C12H23NO2/c1-9-3-4-11(10(2)7-9)13-8-12-14-5-6-15-12/h9-13H,3-8H2,1-2H3
InChIKeyZVJWWEIZVCRMIJ-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine (CID 131175670) is N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCC2OCCO2)C(C)C1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is ZVJWWEIZVCRMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-3-4-11(10(2)7-9)13-8-12-14-5-6-15-12/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 131175670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).