3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine

C14H21N — CID 90318133

IUPAC3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
SMILESC=C(CNCCC(C)C)c1ccccc1
InChIInChI=1S/C14H21N/c1-12(2)9-10-15-11-13(3)14-7-5-4-6-8-14/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyDWHAUQPXWPNVGE-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.34
Rot. Bonds6

About 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine

3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine (PubChem CID 90318133) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
PubChem CID90318133
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
SMILESC=C(CNCCC(C)C)c1ccccc1
InChIInChI=1S/C14H21N/c1-12(2)9-10-15-11-13(3)14-7-5-4-6-8-14/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyDWHAUQPXWPNVGE-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.34
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

7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 113288185
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
CID 108997322
1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
CID 113288131
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine (CID 90318133) is 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine is C=C(CNCCC(C)C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine?
The InChIKey is DWHAUQPXWPNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12(2)9-10-15-11-13(3)14-7-5-4-6-8-14/h4-8,12,15H,3,9-11H2,1-2H3.
What are the key properties of 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine?
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine is sourced from PubChem (CID 90318133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).