N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine

C14H27NO2 — CID 54893808

IUPACN-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C14H27NO2/c1-2-3-12-4-6-13(7-5-12)15-10-14-11-16-8-9-17-14/h12-15H,2-11H2,1H3
InChIKeyCSURTNHOVIQJCG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine

N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 54893808) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID54893808
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C14H27NO2/c1-2-3-12-4-6-13(7-5-12)15-10-14-11-16-8-9-17-14/h12-15H,2-11H2,1H3
InChIKeyCSURTNHOVIQJCG-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine (CID 54893808) is N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC2COCCO2)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is CSURTNHOVIQJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-12-4-6-13(7-5-12)15-10-14-11-16-8-9-17-14/h12-15H,2-11H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine?
N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 54893808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).