1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine

C12H21N3 — CID 119116302

IUPAC1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1CC=CCC1
InChIInChI=1S/C12H21N3/c1-3-9-14-12(13-2)15-10-11-7-5-4-6-8-11/h3-5,11H,1,6-10H2,2H3,(H2,13,14,15)
InChIKeyBAKRYRIQMUASGA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.69
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine

1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine (PubChem CID 119116302) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine
PubChem CID119116302
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1CC=CCC1
InChIInChI=1S/C12H21N3/c1-3-9-14-12(13-2)15-10-11-7-5-4-6-8-11/h3-5,11H,1,6-10H2,2H3,(H2,13,14,15)
InChIKeyBAKRYRIQMUASGA-UHFFFAOYSA-N
XLogP1.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.69
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]-3-ethyl-2-methylguanidine
CID 95908016
4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 21027228
N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
CID 123570444
4-Methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine
CID 123838377
1,2-dimethyl-3-[(Z)-undec-5-enyl]guanidine
CID 141676982
1-Cyclohex-2-en-1-yl-3-heptan-2-yl-2-prop-2-enylguanidine
CID 143398987
N-(1-amino-2-ethenylpentyl)-N'-(2-cyclohexa-1,5-dien-1-ylbutyl)methanimidamide
CID 146661126
(Z)-N-ethyl-N'-(ethylaminomethyl)-6-methyloct-2-ene-1,8-diamine
CID 156424045
6-Chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163776105
(8aS)-5-methyl-1,4,4a,5,8,8a-hexahydroquinazolin-2-amine
CID 166943838
1-(Diaminomethylidene)-3-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]guanidine
CID 176523951
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine (CID 119116302) is 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine?
The InChIKey is BAKRYRIQMUASGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-9-14-12(13-2)15-10-11-7-5-4-6-8-11/h3-5,11H,1,6-10H2,2H3,(H2,13,14,15).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine?
1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine has a molecular weight of 207.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 119116302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).