N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine

C19H29NO — CID 63454639

IUPACN-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
SMILESC=CCOc1ccccc1CNC1CCC(CCC)CC1
InChIInChI=1S/C19H29NO/c1-3-7-16-10-12-18(13-11-16)20-15-17-8-5-6-9-19(17)21-14-4-2/h4-6,8-9,16,18,20H,2-3,7,10-15H2,1H3
InChIKeyVJEDSJMKVVCQJT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds8

About N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine

N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63454639) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63454639
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
SMILESC=CCOc1ccccc1CNC1CCC(CCC)CC1
InChIInChI=1S/C19H29NO/c1-3-7-16-10-12-18(13-11-16)20-15-17-8-5-6-9-19(17)21-14-4-2/h4-6,8-9,16,18,20H,2-3,7,10-15H2,1H3
InChIKeyVJEDSJMKVVCQJT-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
CID 43784273
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 23822564

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine (CID 63454639) is N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine is C=CCOc1ccccc1CNC1CCC(CCC)CC1.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is VJEDSJMKVVCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-7-16-10-12-18(13-11-16)20-15-17-8-5-6-9-19(17)21-14-4-2/h4-6,8-9,16,18,20H,2-3,7,10-15H2,1H3.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine?
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63454639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).