N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine

C13H17N — CID 78921499

IUPACN-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
SMILESC=C(CNCC1CC1)c1ccccc1
InChIInChI=1S/C13H17N/c1-11(9-14-10-12-7-8-12)13-5-3-2-4-6-13/h2-6,12,14H,1,7-10H2
InChIKeyNDJUMZQFNOTIGY-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.70
Rot. Bonds5

About N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine

N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine (PubChem CID 78921499) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
PubChem CID78921499
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
SMILESC=C(CNCC1CC1)c1ccccc1
InChIInChI=1S/C13H17N/c1-11(9-14-10-12-7-8-12)13-5-3-2-4-6-13/h2-6,12,14H,1,7-10H2
InChIKeyNDJUMZQFNOTIGY-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 115328361
[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
CID 115328362
N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine
CID 115328156
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine
CID 106221350
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
N-(2-phenylprop-2-enyl)hex-5-yn-1-amine
CID 106211574
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine (CID 78921499) is N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine is C=C(CNCC1CC1)c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine?
The InChIKey is NDJUMZQFNOTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11(9-14-10-12-7-8-12)13-5-3-2-4-6-13/h2-6,12,14H,1,7-10H2.
What are the key properties of N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine?
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 78921499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).