N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine

C14H24N2 — CID 54475550

IUPACN-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine
SMILESCC(=CC1=NCCC1)N(C)C1CCCCC1
InChIInChI=1S/C14H24N2/c1-12(11-13-7-6-10-15-13)16(2)14-8-4-3-5-9-14/h11,14H,3-10H2,1-2H3
InChIKeyXLHWOABHXFDULC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds3

About N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine

N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine (PubChem CID 54475550) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine
PubChem CID54475550
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine
SMILESCC(=CC1=NCCC1)N(C)C1CCCCC1
InChIInChI=1S/C14H24N2/c1-12(11-13-7-6-10-15-13)16(2)14-8-4-3-5-9-14/h11,14H,3-10H2,1-2H3
InChIKeyXLHWOABHXFDULC-UHFFFAOYSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylprop-1-enyl N-cyclohexyl-N-methylcarbamate
CID 14324096
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
N-cycloheptyl-N-methylcarbamothioyl chloride
CID 21434274
1-cyclooctyl-1-methylurea
CID 126989312
potassium N-cyclohexyl-N-methylcarbamodithioate
CID 139703213
N-cyclobutyl-N-methyl-2-oxoacetamide
CID 115166163
N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
N-cyclopentyl-N-methylethanimidamide
CID 63173127
N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide
CID 118571122
1-N,1-N'-dicyclohexyl-1-N'-methylethene-1,1-diamine;ethane
CID 145338101
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine (CID 54475550) is N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine is CC(=CC1=NCCC1)N(C)C1CCCCC1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine?
The InChIKey is XLHWOABHXFDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(11-13-7-6-10-15-13)16(2)14-8-4-3-5-9-14/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine?
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine has a molecular weight of 220.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-N-methylcyclohexanamine is sourced from PubChem (CID 54475550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).