1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine

C14H27NO2 — CID 81102685

IUPAC1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCOCO1)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-14(12-6-4-3-5-7-12)15-10-13-8-9-16-11-17-13/h12-15H,2-11H2,1H3
InChIKeySNLVCCPRNNYABK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine

1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine (PubChem CID 81102685) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine
PubChem CID81102685
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCOCO1)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-14(12-6-4-3-5-7-12)15-10-13-8-9-16-11-17-13/h12-15H,2-11H2,1H3
InChIKeySNLVCCPRNNYABK-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)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

Related Compounds

N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
CID 81100857
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
CID 103914239
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
CID 81101798
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
2-[[1-(oxolan-3-yl)propylamino]methyl]cyclopentan-1-ol
CID 115724703
N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine (CID 81102685) is 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine is CCC(NCC1CCOCO1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine?
The InChIKey is SNLVCCPRNNYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-14(12-6-4-3-5-7-12)15-10-13-8-9-16-11-17-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine?
1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 81102685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).