1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine

C11H21N3 — CID 130941577

IUPAC1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine
SMILESC/N=C(\N)NCC1CC2CCC1CC2
InChIInChI=1S/C11H21N3/c1-13-11(12)14-7-10-6-8-2-4-9(10)5-3-8/h8-10H,2-7H2,1H3,(H3,12,13,14)
InChIKeyXPQMJWZZYDRRDO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.35
Rot. Bonds2

About 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine

1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine (PubChem CID 130941577) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine
PubChem CID130941577
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine
SMILESC/N=C(\N)NCC1CC2CCC1CC2
InChIInChI=1S/C11H21N3/c1-13-11(12)14-7-10-6-8-2-4-9(10)5-3-8/h8-10H,2-7H2,1H3,(H3,12,13,14)
InChIKeyXPQMJWZZYDRRDO-UHFFFAOYSA-N
XLogP1.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.35
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'}

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Related Compounds

2-bicyclo[2.2.2]octanylmethylhydrazine
CID 130632921
1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 106136649
1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 103696908
1-[(4,4-difluorocyclohexyl)methyl]-2-methylguanidine
CID 164655466
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
2-bicyclo[2.2.1]heptanylmethylcarbamodithioic acid
CID 71388255
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
CID 77027648
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-propylthiourea
CID 124868104

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine?
The IUPAC name of 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine (CID 130941577) is 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine?
The canonical SMILES for 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine is C/N=C(\N)NCC1CC2CCC1CC2.
What is the InChIKey of 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine?
The InChIKey is XPQMJWZZYDRRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13-11(12)14-7-10-6-8-2-4-9(10)5-3-8/h8-10H,2-7H2,1H3,(H3,12,13,14).
What are the key properties of 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine?
1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.2]octanylmethyl)-2-methylguanidine is sourced from PubChem (CID 130941577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).