1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide

C16H33IN4 — CID 111867413

IUPAC1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CC1)NCC(C1CCCCC1)N(C)C.I
InChIInChI=1S/C16H32N4.HI/c1-17-16(18-11-13-9-10-13)19-12-15(20(2)3)14-7-5-4-6-8-14;/h13-15H,4-12H2,1-3H3,(H2,17,18,19);1H
InChIKeyFXMRZOUPINTMDU-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide

1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 111867413) has the molecular formula C16H33IN4 and a molecular weight of 408.37 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
PubChem CID111867413
Molecular FormulaC16H33IN4
Molecular Weight408.37 g/mol
Exact Mass408.17
IUPAC Name1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC1CC1)NCC(C1CCCCC1)N(C)C.I
InChIInChI=1S/C16H32N4.HI/c1-17-16(18-11-13-9-10-13)19-12-15(20(2)3)14-7-5-4-6-8-14;/h13-15H,4-12H2,1-3H3,(H2,17,18,19);1H
InChIKeyFXMRZOUPINTMDU-UHFFFAOYSA-N
XLogP2.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylguanidine
CID 110964719
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894299
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973755
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111868071
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868072
1-(cyclopropylmethyl)-3-[2-(dimethylamino)-3-ethylpentyl]-2-methylguanidine
CID 111869570
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409432
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528472
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002730
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255649
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442474

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide (CID 111867413) is 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCC1CC1)NCC(C1CCCCC1)N(C)C.I.
What is the InChIKey of 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is FXMRZOUPINTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4.HI/c1-17-16(18-11-13-9-10-13)19-12-15(20(2)3)14-7-5-4-6-8-14;/h13-15H,4-12H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 408.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111867413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).