1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine

C10H19N3 — CID 62359713

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C10H19N3/c1-12-10(11)13-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H3,11,12,13)
InChIKeyBRTMHHNECXNXRP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine

1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine (PubChem CID 62359713) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
PubChem CID62359713
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C10H19N3/c1-12-10(11)13-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H3,11,12,13)
InChIKeyBRTMHHNECXNXRP-UHFFFAOYSA-N
XLogP1.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
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

1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178396
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111208339
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941011
1-[2-(cyclohexen-1-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119130799
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
1-(cyclobutylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 119130796
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-[2-(cyclohexen-1-yl)ethyl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine
CID 111208462
1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
CID 10947846
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
1-(2-tert-butylsulfinylethyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 111828765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine (CID 62359713) is 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine is C/N=C(\N)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine?
The InChIKey is BRTMHHNECXNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-12-10(11)13-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H3,11,12,13).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine?
1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 62359713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).