4-pentylazecane

C14H29N — CID 166829392

IUPAC4-pentylazecane
SMILESCCCCCC1CCCCCCNCC1
InChIInChI=1S/C14H29N/c1-2-3-6-9-14-10-7-4-5-8-12-15-13-11-14/h14-15H,2-13H2,1H3
InChIKeyZREKVQZNJRLHEE-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.13
Rot. Bonds4

About 4-pentylazecane

4-pentylazecane (PubChem CID 166829392) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-pentylazecane.

Molecular Properties

Compound Name4-pentylazecane
PubChem CID166829392
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-pentylazecane
SMILESCCCCCC1CCCCCCNCC1
InChIInChI=1S/C14H29N/c1-2-3-6-9-14-10-7-4-5-8-12-15-13-11-14/h14-15H,2-13H2,1H3
InChIKeyZREKVQZNJRLHEE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.13
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

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tetradecylcyclododecane
CID 169026037
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CID 121434222
4-(6-methylheptyl)azonane
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ethene;pentylcyclopentane
CID 145442606
4-butylpiperidine;formonitrile
CID 142168007

Frequently Asked Questions

What is the IUPAC name of 4-pentylazecane?
The IUPAC name of 4-pentylazecane (CID 166829392) is 4-pentylazecane.
What is the SMILES notation for 4-pentylazecane?
The canonical SMILES for 4-pentylazecane is CCCCCC1CCCCCCNCC1.
What is the InChIKey of 4-pentylazecane?
The InChIKey is ZREKVQZNJRLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-2-3-6-9-14-10-7-4-5-8-12-15-13-11-14/h14-15H,2-13H2,1H3.
What are the key properties of 4-pentylazecane?
4-pentylazecane has a molecular weight of 211.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylazecane is sourced from PubChem (CID 166829392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).