4,4-dimethyl-1-pentylazepane

C13H27N — CID 18723213

IUPAC4,4-dimethyl-1-pentylazepane
SMILESCCCCCN1CCCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-4-5-6-10-14-11-7-8-13(2,3)9-12-14/h4-12H2,1-3H3
InChIKeyZQUMIBKMTBIJRI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds4

About 4,4-dimethyl-1-pentylazepane

4,4-dimethyl-1-pentylazepane (PubChem CID 18723213) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-pentylazepane.

Molecular Properties

Compound Name4,4-dimethyl-1-pentylazepane
PubChem CID18723213
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4,4-dimethyl-1-pentylazepane
SMILESCCCCCN1CCCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-4-5-6-10-14-11-7-8-13(2,3)9-12-14/h4-12H2,1-3H3
InChIKeyZQUMIBKMTBIJRI-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4,4-dimethylpiperidine
CID 18722930
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
4,4-dimethyl-1-propylazocane;ethane
CID 144928952
1-heptylazetidine
CID 134402356
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-decylpiperidine
CID 4649960
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
CID 162323144
CID 162323144

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-pentylazepane?
The IUPAC name of 4,4-dimethyl-1-pentylazepane (CID 18723213) is 4,4-dimethyl-1-pentylazepane.
What is the SMILES notation for 4,4-dimethyl-1-pentylazepane?
The canonical SMILES for 4,4-dimethyl-1-pentylazepane is CCCCCN1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-pentylazepane?
The InChIKey is ZQUMIBKMTBIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-10-14-11-7-8-13(2,3)9-12-14/h4-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-pentylazepane?
4,4-dimethyl-1-pentylazepane has a molecular weight of 197.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-pentylazepane is sourced from PubChem (CID 18723213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).