1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine

C12H25N3 — CID 111868538

IUPAC1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine
SMILESC/N=C(\NCCC(C)(C)C)NCC1CC1
InChIInChI=1S/C12H25N3/c1-12(2,3)7-8-14-11(13-4)15-9-10-5-6-10/h10H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyJWIPJPWTNSBZRK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.00
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine

1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine (PubChem CID 111868538) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine
PubChem CID111868538
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine
SMILESC/N=C(\NCCC(C)(C)C)NCC1CC1
InChIInChI=1S/C12H25N3/c1-12(2,3)7-8-14-11(13-4)15-9-10-5-6-10/h10H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyJWIPJPWTNSBZRK-UHFFFAOYSA-N
XLogP2.00
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.00
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

1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1-(cyclopropylmethyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111870010
1-(cyclobutylmethyl)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 119140565
1-[3-(cyclopropylmethoxy)propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111391352
1-(cyclopropylmethyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626099
1-tert-butyl-3-(3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 110966837
1-(3,3-dimethylbutyl)-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979052
1-(cyclopropylmethyl)-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 111869695
2-cyclopentyl-N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111870072
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-(3-ethoxypropyl)-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine
CID 111222757

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine (CID 111868538) is 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine is C/N=C(\NCCC(C)(C)C)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine?
The InChIKey is JWIPJPWTNSBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)7-8-14-11(13-4)15-9-10-5-6-10/h10H,5-9H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine?
1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine is sourced from PubChem (CID 111868538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).