N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C11H17N3 — CID 146653890

IUPACN-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1=CCCC=C1CNC1=NCCN1
InChIInChI=1S/C11H17N3/c1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11/h4-5H,2-3,6-8H2,1H3,(H2,12,13,14)
InChIKeyZWTRMHXZGUDTPG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.20
Rot. Bonds2

About N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 146653890) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID146653890
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1=CCCC=C1CNC1=NCCN1
InChIInChI=1S/C11H17N3/c1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11/h4-5H,2-3,6-8H2,1H3,(H2,12,13,14)
InChIKeyZWTRMHXZGUDTPG-UHFFFAOYSA-N
XLogP1.20
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 146653890) is N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is CC1=CCCC=C1CNC1=NCCN1.
What is the InChIKey of N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ZWTRMHXZGUDTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11/h4-5H,2-3,6-8H2,1H3,(H2,12,13,14).
What are the key properties of N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 146653890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).