2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine

C13H19N — CID 6387609

IUPAC2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
SMILESCC(C)(C)NC/C=C/c1ccccc1
InChIInChI=1S/C13H19N/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-10,14H,11H2,1-3H3/b10-7+
InChIKeyTYGMNYUTGKBMIC-JXMROGBWSA-N
MW189.30 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine

2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine (PubChem CID 6387609) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
PubChem CID6387609
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
SMILESCC(C)(C)NC/C=C/c1ccccc1
InChIInChI=1S/C13H19N/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-10,14H,11H2,1-3H3/b10-7+
InChIKeyTYGMNYUTGKBMIC-JXMROGBWSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide
CID 56954375
(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
CID 71750264
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
CID 79592735
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 112689881
1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
CID 12797749
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine (CID 6387609) is 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine is CC(C)(C)NC/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine?
The InChIKey is TYGMNYUTGKBMIC-JXMROGBWSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-10,14H,11H2,1-3H3/b10-7+.
What are the key properties of 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine?
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine is sourced from PubChem (CID 6387609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).