(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

C19H29NO — CID 81388633

IUPAC(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)C2CCCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-3-14-21-19-12-10-17(11-13-19)15-20-16(2)18-8-6-4-5-7-9-18/h3,10-13,16,18,20H,1,4-9,14-15H2,2H3/t16-/m1/s1
InChIKeyGBGHHTQXKUQMRF-MRXNPFEDSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds7

About (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 81388633) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID81388633
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)C2CCCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-3-14-21-19-12-10-17(11-13-19)15-20-16(2)18-8-6-4-5-7-9-18/h3,10-13,16,18,20H,1,4-9,14-15H2,2H3/t16-/m1/s1
InChIKeyGBGHHTQXKUQMRF-MRXNPFEDSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
(1R)-1-cyclopentyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 81389966
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol
CID 111425486
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (CID 81388633) is (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(CN[C@H](C)C2CCCCCC2)cc1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is GBGHHTQXKUQMRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-14-21-19-12-10-17(11-13-19)15-20-16(2)18-8-6-4-5-7-9-18/h3,10-13,16,18,20H,1,4-9,14-15H2,2H3/t16-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81388633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).