1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

C12H22N4 — CID 120662952

IUPAC1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1CC=CCC1
InChIInChI=1S/C12H22N4/c1-11(2)10-15-12(13)14-6-9-16-7-4-3-5-8-16/h3-4H,1,5-10H2,2H3,(H3,13,14,15)
InChIKeyBTTADIHJUINTIV-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.73
Rot. Bonds5

About 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 120662952) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID120662952
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1CC=CCC1
InChIInChI=1S/C12H22N4/c1-11(2)10-15-12(13)14-6-9-16-7-4-3-5-8-16/h3-4H,1,5-10H2,2H3,(H3,13,14,15)
InChIKeyBTTADIHJUINTIV-UHFFFAOYSA-N
XLogP0.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine
CID 118972846
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123313033
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176522969
N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176535305
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 107488805
1-[2-[Ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
N'-methyl-4-(2-methylpropyl)-N-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 112170894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 120662952) is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN1CC=CCC1.
What is the InChIKey of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is BTTADIHJUINTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(2)10-15-12(13)14-6-9-16-7-4-3-5-8-16/h3-4H,1,5-10H2,2H3,(H3,13,14,15).
What are the key properties of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 222.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 120662952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).