N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine

C16H31NO2 — CID 65352596

IUPACN-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1COCCO1
InChIInChI=1S/C16H31NO2/c1-4-7-17-16(15-11-18-8-9-19-15)14-6-5-12(2)13(3)10-14/h12-17H,4-11H2,1-3H3
InChIKeyJLBJYXZDFCXUIX-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.84
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine (PubChem CID 65352596) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
PubChem CID65352596
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1COCCO1
InChIInChI=1S/C16H31NO2/c1-4-7-17-16(15-11-18-8-9-19-15)14-6-5-12(2)13(3)10-14/h12-17H,4-11H2,1-3H3
InChIKeyJLBJYXZDFCXUIX-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine (CID 65352596) is N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine is CCCNC(C1CCC(C)C(C)C1)C1COCCO1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
The InChIKey is JLBJYXZDFCXUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-7-17-16(15-11-18-8-9-19-15)14-6-5-12(2)13(3)10-14/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65352596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).