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

C13H17N — CID 76942803

IUPAC2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
SMILESCC1CC1NCC=Cc1ccccc1
InChIInChI=1S/C13H17N/c1-11-10-13(11)14-9-5-8-12-6-3-2-4-7-12/h2-8,11,13-14H,9-10H2,1H3
InChIKeyPUPXRCCWUREBFU-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.70
Rot. Bonds4

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

2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine (PubChem CID 76942803) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
PubChem CID76942803
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
SMILESCC1CC1NCC=Cc1ccccc1
InChIInChI=1S/C13H17N/c1-11-10-13(11)14-9-5-8-12-6-3-2-4-7-12/h2-8,11,13-14H,9-10H2,1H3
InChIKeyPUPXRCCWUREBFU-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
CID 77050165
3-(3-phenylprop-2-enylamino)cyclobutan-1-ol
CID 77109911
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
CID 115696545
(3R,4S)-3-methyl-1-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 95780734
cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
CID 71927484
(3R,4S)-3-methyl-N-[(Z)-3-phenylprop-2-enyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 97359461
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
CID 107898933
benzene;but-1-enylbenzene
CID 157481332
(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
CID 71750264
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine (CID 76942803) is 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine is CC1CC1NCC=Cc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine?
The InChIKey is PUPXRCCWUREBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-10-13(11)14-9-5-8-12-6-3-2-4-7-12/h2-8,11,13-14H,9-10H2,1H3.
What are the key properties of 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine?
2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine has a molecular weight of 187.29 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 2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine is sourced from PubChem (CID 76942803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).