ethane;N-(1-phenylethyl)prop-1-en-2-amine

C13H21N — CID 142973313

IUPACethane;N-(1-phenylethyl)prop-1-en-2-amine
SMILESC=C(C)NC(C)c1ccccc1.CC
InChIInChI=1S/C11H15N.C2H6/c1-9(2)12-10(3)11-7-5-4-6-8-11;1-2/h4-8,10,12H,1H2,2-3H3;1-2H3
InChIKeyXSXPTDSTIAGZDU-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.90
Rot. Bonds3

About ethane;N-(1-phenylethyl)prop-1-en-2-amine

ethane;N-(1-phenylethyl)prop-1-en-2-amine (PubChem CID 142973313) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;N-(1-phenylethyl)prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-(1-phenylethyl)prop-1-en-2-amine
PubChem CID142973313
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;N-(1-phenylethyl)prop-1-en-2-amine
SMILESC=C(C)NC(C)c1ccccc1.CC
InChIInChI=1S/C11H15N.C2H6/c1-9(2)12-10(3)11-7-5-4-6-8-11;1-2/h4-8,10,12H,1H2,2-3H3;1-2H3
InChIKeyXSXPTDSTIAGZDU-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910190
(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine
CID 143769400
(1R)-1-phenyl-N-(1-phenylethenyl)ethanamine
CID 89302645
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
[(1R)-1-phenylethyl]thiourea
CID 696701
1-phenylethylcarbamodithioic acid
CID 3032776
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
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CID 91444453

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-phenylethyl)prop-1-en-2-amine?
The IUPAC name of ethane;N-(1-phenylethyl)prop-1-en-2-amine (CID 142973313) is ethane;N-(1-phenylethyl)prop-1-en-2-amine.
What is the SMILES notation for ethane;N-(1-phenylethyl)prop-1-en-2-amine?
The canonical SMILES for ethane;N-(1-phenylethyl)prop-1-en-2-amine is C=C(C)NC(C)c1ccccc1.CC.
What is the InChIKey of ethane;N-(1-phenylethyl)prop-1-en-2-amine?
The InChIKey is XSXPTDSTIAGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-9(2)12-10(3)11-7-5-4-6-8-11;1-2/h4-8,10,12H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;N-(1-phenylethyl)prop-1-en-2-amine?
ethane;N-(1-phenylethyl)prop-1-en-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-phenylethyl)prop-1-en-2-amine is sourced from PubChem (CID 142973313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).