2-pentyl-2-propan-2-ylazepane

C14H29N — CID 79119110

IUPAC2-pentyl-2-propan-2-ylazepane
SMILESCCCCCC1(C(C)C)CCCCCN1
InChIInChI=1S/C14H29N/c1-4-5-7-10-14(13(2)3)11-8-6-9-12-15-14/h13,15H,4-12H2,1-3H3
InChIKeyVCHWKRSZZKWBSG-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.13
Rot. Bonds5

About 2-pentyl-2-propan-2-ylazepane

2-pentyl-2-propan-2-ylazepane (PubChem CID 79119110) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-pentyl-2-propan-2-ylazepane.

Molecular Properties

Compound Name2-pentyl-2-propan-2-ylazepane
PubChem CID79119110
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-pentyl-2-propan-2-ylazepane
SMILESCCCCCC1(C(C)C)CCCCCN1
InChIInChI=1S/C14H29N/c1-4-5-7-10-14(13(2)3)11-8-6-9-12-15-14/h13,15H,4-12H2,1-3H3
InChIKeyVCHWKRSZZKWBSG-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
2-ethyl-2-propan-2-ylazepane
CID 79117006
2-(3-methoxypropyl)-2-propan-2-ylpiperidine
CID 117271103
2-propan-2-yl-2-(3,3,3-trifluoropropyl)azepane
CID 79117029
2-(2-methylpropyl)-2-propan-2-ylazepane
CID 79119427
2-(2-methoxyethyl)-2-propan-2-ylpiperidine
CID 117271109
2-ethyl-2-pentylazepane
CID 79116798
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
2-propan-2-yl-2-(propan-2-yloxymethyl)azepane
CID 79569057
2-but-2-ynyl-2-propan-2-ylazepane
CID 79117232
2-propan-2-yl-2-(2-pyrrolidin-2-ylethyl)piperidine
CID 117271627
2-[2-(oxan-3-yl)ethyl]-2-propan-2-ylpiperidine
CID 117271658

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-2-propan-2-ylazepane?
The IUPAC name of 2-pentyl-2-propan-2-ylazepane (CID 79119110) is 2-pentyl-2-propan-2-ylazepane.
What is the SMILES notation for 2-pentyl-2-propan-2-ylazepane?
The canonical SMILES for 2-pentyl-2-propan-2-ylazepane is CCCCCC1(C(C)C)CCCCCN1.
What is the InChIKey of 2-pentyl-2-propan-2-ylazepane?
The InChIKey is VCHWKRSZZKWBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-7-10-14(13(2)3)11-8-6-9-12-15-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 2-pentyl-2-propan-2-ylazepane?
2-pentyl-2-propan-2-ylazepane has a molecular weight of 211.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2-propan-2-ylazepane is sourced from PubChem (CID 79119110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).