2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine

C15H29NO — CID 139968889

IUPAC2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)(C1CCCCC1)C1CC1
InChIInChI=1S/C15H29NO/c1-3-16-11-15(12-17-2,14-9-10-14)13-7-5-4-6-8-13/h13-14,16H,3-12H2,1-2H3
InChIKeyVEZWMUVBAGOPQC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds7

About 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine

2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine (PubChem CID 139968889) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine
PubChem CID139968889
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)(C1CCCCC1)C1CC1
InChIInChI=1S/C15H29NO/c1-3-16-11-15(12-17-2,14-9-10-14)13-7-5-4-6-8-13/h13-14,16H,3-12H2,1-2H3
InChIKeyVEZWMUVBAGOPQC-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine (CID 139968889) is 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)(C1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is VEZWMUVBAGOPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-16-11-15(12-17-2,14-9-10-14)13-7-5-4-6-8-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine?
2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-cyclopropyl-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 139968889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).