(4R)-1,4,5-trimethylazepane

C9H19N — CID 89169089

IUPAC(4R)-1,4,5-trimethylazepane
SMILESCC1CCN(C)CC[C@H]1C
InChIInChI=1S/C9H19N/c1-8-4-6-10(3)7-5-9(8)2/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyBHKOPRFGRJVEJU-VEDVMXKPSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds

About (4R)-1,4,5-trimethylazepane

(4R)-1,4,5-trimethylazepane (PubChem CID 89169089) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (4R)-1,4,5-trimethylazepane.

Molecular Properties

Compound Name(4R)-1,4,5-trimethylazepane
PubChem CID89169089
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(4R)-1,4,5-trimethylazepane
SMILESCC1CCN(C)CC[C@H]1C
InChIInChI=1S/C9H19N/c1-8-4-6-10(3)7-5-9(8)2/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyBHKOPRFGRJVEJU-VEDVMXKPSA-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
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
(4S)-1,4-dimethyl-5-propylazepane
CID 145369444
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
N-(2,6-dimethylcyclohexyl)-1-methylpiperidin-4-amine
CID 43215959
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712

Frequently Asked Questions

What is the IUPAC name of (4R)-1,4,5-trimethylazepane?
The IUPAC name of (4R)-1,4,5-trimethylazepane (CID 89169089) is (4R)-1,4,5-trimethylazepane.
What is the SMILES notation for (4R)-1,4,5-trimethylazepane?
The canonical SMILES for (4R)-1,4,5-trimethylazepane is CC1CCN(C)CC[C@H]1C.
What is the InChIKey of (4R)-1,4,5-trimethylazepane?
The InChIKey is BHKOPRFGRJVEJU-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19N/c1-8-4-6-10(3)7-5-9(8)2/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (4R)-1,4,5-trimethylazepane?
(4R)-1,4,5-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 (4R)-1,4,5-trimethylazepane is sourced from PubChem (CID 89169089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).