1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane

C16H36N4O — CID 174842963

IUPAC1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane
SMILESC.CC1CCCCC1(C)C1CCCCC1.NC(=O)N(N)N
InChIInChI=1S/C14H26.CH6N4O.CH4/c1-12-8-6-7-11-14(12,2)13-9-4-3-5-10-13;2-1(6)5(3)4;/h12-13H,3-11H2,1-2H3;3-4H2,(H2,2,6);1H4
InChIKeyZWTOYFREMAGHIR-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.53
Rot. Bonds1

About 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane

1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane (PubChem CID 174842963) has the molecular formula C16H36N4O and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane.

Molecular Properties

Compound Name1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane
PubChem CID174842963
Molecular FormulaC16H36N4O
Molecular Weight300.49 g/mol
Exact Mass300.29
IUPAC Name1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane
SMILESC.CC1CCCCC1(C)C1CCCCC1.NC(=O)N(N)N
InChIInChI=1S/C14H26.CH6N4O.CH4/c1-12-8-6-7-11-14(12,2)13-9-4-3-5-10-13;2-1(6)5(3)4;/h12-13H,3-11H2,1-2H3;3-4H2,(H2,2,6);1H4
InChIKeyZWTOYFREMAGHIR-UHFFFAOYSA-N
XLogP3.53
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane
CID 142806834
carbamic acid;1,2-dimethylcyclohexan-1-amine
CID 175425918
4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 130126609
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
1-cycloheptyl-2-methylcyclohexan-1-amine
CID 82931177
(1-methylcyclopentyl)cyclohexane
CID 13217819
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane?
The IUPAC name of 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane (CID 174842963) is 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane.
What is the SMILES notation for 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane?
The canonical SMILES for 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane is C.CC1CCCCC1(C)C1CCCCC1.NC(=O)N(N)N.
What is the InChIKey of 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane?
The InChIKey is ZWTOYFREMAGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.CH6N4O.CH4/c1-12-8-6-7-11-14(12,2)13-9-4-3-5-10-13;2-1(6)5(3)4;/h12-13H,3-11H2,1-2H3;3-4H2,(H2,2,6);1H4.
What are the key properties of 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane?
1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane has a molecular weight of 300.49 g/mol, XLogP of 3.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane is sourced from PubChem (CID 174842963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).