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

C14H24N2 — CID 70574446

IUPACN-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine
SMILESC/C(=C\C1=NCCC1)NC1(C)CCCCC1
InChIInChI=1S/C14H24N2/c1-12(11-13-7-6-10-15-13)16-14(2)8-4-3-5-9-14/h11,16H,3-10H2,1-2H3/b12-11+
InChIKeyVJQZWHNHCQLREE-VAWYXSNFSA-N
MW220.36 g/mol
LogP3.44
Rot. Bonds3

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

N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine (PubChem CID 70574446) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine
PubChem CID70574446
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine
SMILESC/C(=C\C1=NCCC1)NC1(C)CCCCC1
InChIInChI=1S/C14H24N2/c1-12(11-13-7-6-10-15-13)16-14(2)8-4-3-5-9-14/h11,16H,3-10H2,1-2H3/b12-11+
InChIKeyVJQZWHNHCQLREE-VAWYXSNFSA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine (CID 70574446) is N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine is C/C(=C\C1=NCCC1)NC1(C)CCCCC1.
What is the InChIKey of N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine?
The InChIKey is VJQZWHNHCQLREE-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(11-13-7-6-10-15-13)16-14(2)8-4-3-5-9-14/h11,16H,3-10H2,1-2H3/b12-11+.
What are the key properties of N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine?
N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 70574446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).