methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate

C14H25NO2 — CID 153143861

IUPACmethyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate
SMILESCCCN(CCC)C1=CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25NO2/c1-4-10-15(11-5-2)13-8-6-12(7-9-13)14(16)17-3/h8,12H,4-7,9-11H2,1-3H3
InChIKeyVZDHRTIXAKNXPZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.97
Rot. Bonds6

About methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate

methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate (PubChem CID 153143861) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate
PubChem CID153143861
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate
SMILESCCCN(CCC)C1=CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25NO2/c1-4-10-15(11-5-2)13-8-6-12(7-9-13)14(16)17-3/h8,12H,4-7,9-11H2,1-3H3
InChIKeyVZDHRTIXAKNXPZ-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(pyrrolidin-1-yl)cyclohex-3-enecarboxylate
CID 12235628
Methyl 3-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoate
CID 12264662
Methyl 4-morpholinocyclohex-3-enecarboxylate
CID 12484393
1-(4-Methoxycarbonylcyclohexen-1-yl)-4-pentylpiperidine
CID 12809530
4-Pyrrolidin-1-ylcyclohex-3-ene-1-carboxylic acid
CID 20441895
Ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
CID 23342949
4-Piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
CID 57132739
Methyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
CID 57928130
Methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate
CID 58553187
Methyl 2-[1-(3-oxocyclohexen-1-yl)piperidin-4-yl]acetate
CID 85873154
Ethyl 4-morpholinocyclohex-3-enecarboxylate
CID 118578818
methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate
CID 122682387

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate (CID 153143861) is methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate is CCCN(CCC)C1=CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate?
The InChIKey is VZDHRTIXAKNXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-10-15(11-5-2)13-8-6-12(7-9-13)14(16)17-3/h8,12H,4-7,9-11H2,1-3H3.
What are the key properties of methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate?
methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dipropylamino)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 153143861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).