1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine

C12H22N4 — CID 120972135

IUPAC1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCC1=CCN(CCNC2=NCCN2C)CC1
InChIInChI=1S/C12H22N4/c1-11-3-7-16(8-4-11)10-6-14-12-13-5-9-15(12)2/h3H,4-10H2,1-2H3,(H,13,14)
InChIKeyCPZZKCPDPMBEFC-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.53
Rot. Bonds3

About 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120972135) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID120972135
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCC1=CCN(CCNC2=NCCN2C)CC1
InChIInChI=1S/C12H22N4/c1-11-3-7-16(8-4-11)10-6-14-12-13-5-9-15(12)2/h3H,4-10H2,1-2H3,(H,13,14)
InChIKeyCPZZKCPDPMBEFC-UHFFFAOYSA-N
XLogP0.53
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878537
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
CID 121451192
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 107488805
1-[2-(Cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111208205
1-[2-(Cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111208206
N'-methyl-4-(2-methylpropyl)-N-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 112170894
N'-methyl-4-(2-methylpropyl)-N-pent-3-enylpiperazine-1-carboximidamide
CID 112170895
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114694366
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120190231

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine (CID 120972135) is 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine is CC1=CCN(CCNC2=NCCN2C)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is CPZZKCPDPMBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11-3-7-16(8-4-11)10-6-14-12-13-5-9-15(12)2/h3H,4-10H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).