azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen

C12H23N — CID 145259249

IUPACazane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen
SMILESC#CC1(CC2CCCCC2)CC1.N.[H][H]
InChIInChI=1S/C12H18.H3N.H2/c1-2-12(8-9-12)10-11-6-4-3-5-7-11;;/h1,11H,3-10H2;1H3;1H
InChIKeyWQMKMYZHMGELQO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.78
Rot. Bonds2

About azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen

azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen (PubChem CID 145259249) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen.

Molecular Properties

Compound Nameazane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen
PubChem CID145259249
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameazane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen
SMILESC#CC1(CC2CCCCC2)CC1.N.[H][H]
InChIInChI=1S/C12H18.H3N.H2/c1-2-12(8-9-12)10-11-6-4-3-5-7-11;;/h1,11H,3-10H2;1H3;1H
InChIKeyWQMKMYZHMGELQO-UHFFFAOYSA-N
XLogP3.78
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Ethynylspiro[2.5]octane
CID 153655637
(8R)-8-ethynylspiro[2.5]octane
CID 153688117
8-Ethynylspiro[2.5]octane
CID 154550645
[(1-Ethynylcyclopropyl)methyl]cyclohexane
CID 145259250
1-Ethyl-4-(1-ethynylcyclopropyl)cyclohexane
CID 165646209
(1-Ethynylcyclopropyl)cyclohexane
CID 165683166
1-(1-Ethynylcyclopropyl)-4-methylcyclohexane
CID 165710573
3-(1-Ethynylcyclopropyl)-1,1-dimethylcyclohexane
CID 165711631
1-(1-Ethynylcyclopropyl)-4-(propan-2-yl)cyclohexane
CID 165714954
4-(1-Ethynylcyclopropyl)-1,1-dimethylcyclohexane
CID 165762733
1-(1-Ethynylcyclopropyl)-1-methylcyclohexane
CID 165881308

Frequently Asked Questions

What is the IUPAC name of azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen?
The IUPAC name of azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen (CID 145259249) is azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen.
What is the SMILES notation for azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen?
The canonical SMILES for azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen is C#CC1(CC2CCCCC2)CC1.N.[H][H].
What is the InChIKey of azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen?
The InChIKey is WQMKMYZHMGELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.H3N.H2/c1-2-12(8-9-12)10-11-6-4-3-5-7-11;;/h1,11H,3-10H2;1H3;1H.
What are the key properties of azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen?
azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen has a molecular weight of 181.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen is sourced from PubChem (CID 145259249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).