azane;hexylcyclopropane

C9H21N — CID 135322230

IUPACazane;hexylcyclopropane
SMILESCCCCCCC1CC1.N
InChIInChI=1S/C9H18.H3N/c1-2-3-4-5-6-9-7-8-9;/h9H,2-8H2,1H3;1H3
InChIKeyBABONXOBOVJPOG-UHFFFAOYSA-N
MW143.27 g/mol
LogP3.53
Rot. Bonds5

About azane;hexylcyclopropane

azane;hexylcyclopropane (PubChem CID 135322230) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is azane;hexylcyclopropane.

Molecular Properties

Compound Nameazane;hexylcyclopropane
PubChem CID135322230
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameazane;hexylcyclopropane
SMILESCCCCCCC1CC1.N
InChIInChI=1S/C9H18.H3N/c1-2-3-4-5-6-9-7-8-9;/h9H,2-8H2,1H3;1H3
InChIKeyBABONXOBOVJPOG-UHFFFAOYSA-N
XLogP3.53
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 53.53
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

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
azane;heptylcyclohexane
CID 121434222
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of azane;hexylcyclopropane?
The IUPAC name of azane;hexylcyclopropane (CID 135322230) is azane;hexylcyclopropane.
What is the SMILES notation for azane;hexylcyclopropane?
The canonical SMILES for azane;hexylcyclopropane is CCCCCCC1CC1.N.
What is the InChIKey of azane;hexylcyclopropane?
The InChIKey is BABONXOBOVJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.H3N/c1-2-3-4-5-6-9-7-8-9;/h9H,2-8H2,1H3;1H3.
What are the key properties of azane;hexylcyclopropane?
azane;hexylcyclopropane has a molecular weight of 143.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexylcyclopropane is sourced from PubChem (CID 135322230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).