2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine

C19H27NO — CID 70508072

IUPAC2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CC2C=CCCC2)NCC2CC2)c1
InChIInChI=1S/C19H27NO/c1-21-18-9-5-8-17(13-18)19(20-14-16-10-11-16)12-15-6-3-2-4-7-15/h3,5-6,8-9,13,15-16,19-20H,2,4,7,10-12,14H2,1H3
InChIKeyALDWVNSELJLVMQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.48
Rot. Bonds7

About 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine

2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 70508072) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID70508072
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CC2C=CCCC2)NCC2CC2)c1
InChIInChI=1S/C19H27NO/c1-21-18-9-5-8-17(13-18)19(20-14-16-10-11-16)12-15-6-3-2-4-7-15/h3,5-6,8-9,13,15-16,19-20H,2,4,7,10-12,14H2,1H3
InChIKeyALDWVNSELJLVMQ-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 70508072) is 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(CC2C=CCCC2)NCC2CC2)c1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is ALDWVNSELJLVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-21-18-9-5-8-17(13-18)19(20-14-16-10-11-16)12-15-6-3-2-4-7-15/h3,5-6,8-9,13,15-16,19-20H,2,4,7,10-12,14H2,1H3.
What are the key properties of 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine?
2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 70508072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).