ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C9H19N3 — CID 143657701

IUPACethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CC=C(C)CC1
InChIInChI=1S/C7H13N3.C2H6/c1-6-2-4-10(5-3-6)7(8)9;1-2/h2H,3-5H2,1H3,(H3,8,9);1-2H3
InChIKeyXUCYCAZQLKVHJH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds

About ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide

ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 143657701) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound Nameethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID143657701
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CC=C(C)CC1
InChIInChI=1S/C7H13N3.C2H6/c1-6-2-4-10(5-3-6)7(8)9;1-2/h2H,3-5H2,1H3,(H3,8,9);1-2H3
InChIKeyXUCYCAZQLKVHJH-UHFFFAOYSA-N
XLogP1.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

nitensidine B
CID 10404473
Pterogynine
CID 45268797
1,1-Bis(3,7-dimethylocta-2,6-dienyl)guanidine
CID 85133793
N,N-diisopentenylguanidine
CID 129686283
3,6-dihydro-2H-pyridine-1-carboximidamide
CID 19089264
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878518
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878519
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
CID 69078729
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 70596097
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89224328
5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89354741

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 143657701) is ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CC.[H]/N=C(\N)N1CC=C(C)CC1.
What is the InChIKey of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is XUCYCAZQLKVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-6-2-4-10(5-3-6)7(8)9;1-2/h2H,3-5H2,1H3,(H3,8,9);1-2H3.
What are the key properties of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 143657701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).