3-phenyl-N-propan-2-ylprop-2-en-1-amine

C12H17N — CID 54218883

IUPAC3-phenyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=Cc1ccccc1
InChIInChI=1S/C12H17N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-9,11,13H,10H2,1-2H3
InChIKeyQBCVISFRWLCGCZ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.70
Rot. Bonds4

About 3-phenyl-N-propan-2-ylprop-2-en-1-amine

3-phenyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 54218883) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-phenyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID54218883
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-phenyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=Cc1ccccc1
InChIInChI=1S/C12H17N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-9,11,13H,10H2,1-2H3
InChIKeyQBCVISFRWLCGCZ-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
CID 104582439
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
CID 76940438
1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-phenyl-N-propan-2-ylprop-2-en-1-amine (CID 54218883) is 3-phenyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-phenyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-phenyl-N-propan-2-ylprop-2-en-1-amine is CC(C)NCC=Cc1ccccc1.
What is the InChIKey of 3-phenyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is QBCVISFRWLCGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-9,11,13H,10H2,1-2H3.
What are the key properties of 3-phenyl-N-propan-2-ylprop-2-en-1-amine?
3-phenyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 54218883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).