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

C15H29NO2 — CID 65352331

IUPACN-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1COCCO1
InChIInChI=1S/C15H29NO2/c1-4-16-15(14-10-17-7-8-18-14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3
InChIKeyBRTPMWJRHIPSAA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.45
Rot. Bonds4

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

N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine (PubChem CID 65352331) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
PubChem CID65352331
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1COCCO1
InChIInChI=1S/C15H29NO2/c1-4-16-15(14-10-17-7-8-18-14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3
InChIKeyBRTPMWJRHIPSAA-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine (CID 65352331) is N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine is CCNC(C1CCC(C)C(C)C1)C1COCCO1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The InChIKey is BRTPMWJRHIPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-16-15(14-10-17-7-8-18-14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.45, 4 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]ethanamine is sourced from PubChem (CID 65352331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).