azane;heptylcyclohexane

C13H29N — CID 121434222

IUPACazane;heptylcyclohexane
SMILESCCCCCCCC1CCCCC1.N
InChIInChI=1S/C13H26.H3N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;/h13H,2-12H2,1H3;1H3
InChIKeyKGOYATYODOYNBL-UHFFFAOYSA-N
MW199.38 g/mol
LogP5.09
Rot. Bonds6

About azane;heptylcyclohexane

azane;heptylcyclohexane (PubChem CID 121434222) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is azane;heptylcyclohexane.

Molecular Properties

Compound Nameazane;heptylcyclohexane
PubChem CID121434222
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameazane;heptylcyclohexane
SMILESCCCCCCCC1CCCCC1.N
InChIInChI=1S/C13H26.H3N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;/h13H,2-12H2,1H3;1H3
InChIKeyKGOYATYODOYNBL-UHFFFAOYSA-N
XLogP5.09
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500199.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
ethene;pentylcyclopentane
CID 145442606
azane;hexylcyclopropane
CID 135322230
heptylcyclohexane;propan-2-one
CID 143570854
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-cyclohexyl-4-nonylcyclohexane
CID 56627592

Frequently Asked Questions

What is the IUPAC name of azane;heptylcyclohexane?
The IUPAC name of azane;heptylcyclohexane (CID 121434222) is azane;heptylcyclohexane.
What is the SMILES notation for azane;heptylcyclohexane?
The canonical SMILES for azane;heptylcyclohexane is CCCCCCCC1CCCCC1.N.
What is the InChIKey of azane;heptylcyclohexane?
The InChIKey is KGOYATYODOYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.H3N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;/h13H,2-12H2,1H3;1H3.
What are the key properties of azane;heptylcyclohexane?
azane;heptylcyclohexane has a molecular weight of 199.38 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;heptylcyclohexane is sourced from PubChem (CID 121434222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).