N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine

C13H19N — CID 143541602

IUPACN-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine
SMILESC/C=C\c1ccccc1CNCCC
InChIInChI=1S/C13H19N/c1-3-7-12-8-5-6-9-13(12)11-14-10-4-2/h3,5-9,14H,4,10-11H2,1-2H3/b7-3-
InChIKeyVBXGBCVBROWGKY-CLTKARDFSA-N
MW189.30 g/mol
LogP3.22
Rot. Bonds5

About N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine

N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine (PubChem CID 143541602) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine
PubChem CID143541602
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine
SMILESC/C=C\c1ccccc1CNCCC
InChIInChI=1S/C13H19N/c1-3-7-12-8-5-6-9-13(12)11-14-10-4-2/h3,5-9,14H,4,10-11H2,1-2H3/b7-3-
InChIKeyVBXGBCVBROWGKY-CLTKARDFSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
CID 156725547
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
3-[2-(propylaminomethyl)phenyl]propanal
CID 135192153
N-[(2-ethenylphenyl)methyl]dodecan-1-amine
CID 19833787
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
CID 142194748
N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine (CID 143541602) is N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine is C/C=C\c1ccccc1CNCCC.
What is the InChIKey of N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine?
The InChIKey is VBXGBCVBROWGKY-CLTKARDFSA-N. The full InChI is InChI=1S/C13H19N/c1-3-7-12-8-5-6-9-13(12)11-14-10-4-2/h3,5-9,14H,4,10-11H2,1-2H3/b7-3-.
What are the key properties of N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine?
N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 143541602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).