N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine

C18H27NO — CID 79330139

IUPACN-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
SMILESC=CCOc1ccccc1C=C(CC)CNCC(C)C
InChIInChI=1S/C18H27NO/c1-5-11-20-18-10-8-7-9-17(18)12-16(6-2)14-19-13-15(3)4/h5,7-10,12,15,19H,1,6,11,13-14H2,2-4H3
InChIKeyISZLISIDMFHPAB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.29
Rot. Bonds9

About N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine

N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine (PubChem CID 79330139) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
PubChem CID79330139
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
SMILESC=CCOc1ccccc1C=C(CC)CNCC(C)C
InChIInChI=1S/C18H27NO/c1-5-11-20-18-10-8-7-9-17(18)12-16(6-2)14-19-13-15(3)4/h5,7-10,12,15,19H,1,6,11,13-14H2,2-4H3
InChIKeyISZLISIDMFHPAB-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.29
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

N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79330119
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305
2-[2-[3-methyl-2-[(2-methylpropylamino)methyl]but-1-enyl]phenoxy]acetonitrile
CID 79342683
2-[2-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]phenoxy]acetonitrile
CID 79338074
N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
CID 79330038
2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79329717
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218
1-[2-(bromomethyl)but-1-enyl]-2-ethoxybenzene
CID 79324457
ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
N-ethyl-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79329986

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine (CID 79330139) is N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine is C=CCOc1ccccc1C=C(CC)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine?
The InChIKey is ISZLISIDMFHPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-11-20-18-10-8-7-9-17(18)12-16(6-2)14-19-13-15(3)4/h5,7-10,12,15,19H,1,6,11,13-14H2,2-4H3.
What are the key properties of N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine?
N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79330139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).