1,3,4-trimethylazepane

C9H19N — CID 59081993

IUPAC1,3,4-trimethylazepane
SMILESCC1CCCN(C)CC1C
InChIInChI=1S/C9H19N/c1-8-5-4-6-10(3)7-9(8)2/h8-9H,4-7H2,1-3H3
InChIKeyGYBJWWMJHBTJPQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds

About 1,3,4-trimethylazepane

1,3,4-trimethylazepane (PubChem CID 59081993) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,3,4-trimethylazepane.

Molecular Properties

Compound Name1,3,4-trimethylazepane
PubChem CID59081993
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,3,4-trimethylazepane
SMILESCC1CCCN(C)CC1C
InChIInChI=1S/C9H19N/c1-8-5-4-6-10(3)7-9(8)2/h8-9H,4-7H2,1-3H3
InChIKeyGYBJWWMJHBTJPQ-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
ethane;1,3,4-trimethylpiperidine
CID 142222872
(3R,4R)-1,3-dimethylazepan-4-ol
CID 54116719
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347
1,2-dimethylcyclohexane;vanadium
CID 142004480
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
3-iodo-1-methylpiperidine
CID 66569181

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylazepane?
The IUPAC name of 1,3,4-trimethylazepane (CID 59081993) is 1,3,4-trimethylazepane.
What is the SMILES notation for 1,3,4-trimethylazepane?
The canonical SMILES for 1,3,4-trimethylazepane is CC1CCCN(C)CC1C.
What is the InChIKey of 1,3,4-trimethylazepane?
The InChIKey is GYBJWWMJHBTJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8-5-4-6-10(3)7-9(8)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1,3,4-trimethylazepane?
1,3,4-trimethylazepane has a molecular weight of 141.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylazepane is sourced from PubChem (CID 59081993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).