N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine

C15H29NO2 — CID 65352228

IUPACN-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(CC)CC1)C1COCCO1
InChIInChI=1S/C15H29NO2/c1-3-12-5-7-13(8-6-12)15(16-4-2)14-11-17-9-10-18-14/h12-16H,3-11H2,1-2H3
InChIKeySPBXNQLGFSRLQE-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds5

About N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine

N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine (PubChem CID 65352228) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine
PubChem CID65352228
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(CC)CC1)C1COCCO1
InChIInChI=1S/C15H29NO2/c1-3-12-5-7-13(8-6-12)15(16-4-2)14-11-17-9-10-18-14/h12-16H,3-11H2,1-2H3
InChIKeySPBXNQLGFSRLQE-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
N-[(4-ethylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65329706
[(4-ethylcyclohexyl)-(oxan-2-yl)methyl]hydrazine
CID 105313042
N-[cyclopropyl-(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79669495
N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine
CID 103759876
2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
CID 65350652
N-[cyclopropyl-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 79657331
N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 115824817
N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107138706

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine (CID 65352228) is N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine is CCNC(C1CCC(CC)CC1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is SPBXNQLGFSRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-12-5-7-13(8-6-12)15(16-4-2)14-11-17-9-10-18-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine?
N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 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-yl-(4-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 65352228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).