N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine

C16H25N — CID 143498981

IUPACN-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H25N/c1-5-10-17(11-6-2)13-15-8-7-9-16(12-15)14(3)4/h5,7-9,12,14H,1,6,10-11,13H2,2-4H3
InChIKeyAWSOJYFSENQDFL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.21
Rot. Bonds7

About N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine

N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine (PubChem CID 143498981) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
PubChem CID143498981
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H25N/c1-5-10-17(11-6-2)13-15-8-7-9-16(12-15)14(3)4/h5,7-9,12,14H,1,6,10-11,13H2,2-4H3
InChIKeyAWSOJYFSENQDFL-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
N-ethyl-5-(3-propan-2-ylphenyl)-N-propylpent-3-en-1-amine;propane;hydrate
CID 142070605
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
CID 142098945
2,6-dichloro-4-[[prop-2-enyl(propyl)amino]methyl]aniline
CID 82841853
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 154621355
N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 135265211
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
N-benzyl-N-prop-2-enylpent-4-yn-1-amine
CID 102338233

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine (CID 143498981) is N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine is C=CCN(CCC)Cc1cccc(C(C)C)c1.
What is the InChIKey of N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The InChIKey is AWSOJYFSENQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-10-17(11-6-2)13-15-8-7-9-16(12-15)14(3)4/h5,7-9,12,14H,1,6,10-11,13H2,2-4H3.
What are the key properties of N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 143498981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).