1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine

C13H27NO — CID 63862909

IUPAC1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
SMILESCCC1CCCCC1C(CCOC)NC
InChIInChI=1S/C13H27NO/c1-4-11-7-5-6-8-12(11)13(14-2)9-10-15-3/h11-14H,4-10H2,1-3H3
InChIKeyXPTCGTCUPOVUJL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine

1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 63862909) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
PubChem CID63862909
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
SMILESCCC1CCCCC1C(CCOC)NC
InChIInChI=1S/C13H27NO/c1-4-11-7-5-6-8-12(11)13(14-2)9-10-15-3/h11-14H,4-10H2,1-3H3
InChIKeyXPTCGTCUPOVUJL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine (CID 63862909) is 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine is CCC1CCCCC1C(CCOC)NC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is XPTCGTCUPOVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11-7-5-6-8-12(11)13(14-2)9-10-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine?
1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 63862909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).