ethane;4-methyl-1-propan-2-ylazepane

C12H27N — CID 144749711

IUPACethane;4-methyl-1-propan-2-ylazepane
SMILESCC.CC1CCCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C2H6/c1-9(2)11-7-4-5-10(3)6-8-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyATLYOWFANNXSDU-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds1

About ethane;4-methyl-1-propan-2-ylazepane

ethane;4-methyl-1-propan-2-ylazepane (PubChem CID 144749711) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-ylazepane.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-ylazepane
PubChem CID144749711
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;4-methyl-1-propan-2-ylazepane
SMILESCC.CC1CCCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C2H6/c1-9(2)11-7-4-5-10(3)6-8-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyATLYOWFANNXSDU-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;4-methyl-1-propan-2-ylazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
1-but-3-en-2-yl-4-methylazepane
CID 131042080
ethane;1-propan-2-ylpyrrolidine
CID 167557798
2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 79408333
ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
CID 169134554
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
4-methylsulfanyl-1-propan-2-ylazepane
CID 142624919
4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
CID 114281893
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-ylazepane?
The IUPAC name of ethane;4-methyl-1-propan-2-ylazepane (CID 144749711) is ethane;4-methyl-1-propan-2-ylazepane.
What is the SMILES notation for ethane;4-methyl-1-propan-2-ylazepane?
The canonical SMILES for ethane;4-methyl-1-propan-2-ylazepane is CC.CC1CCCN(C(C)C)CC1.
What is the InChIKey of ethane;4-methyl-1-propan-2-ylazepane?
The InChIKey is ATLYOWFANNXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-9(2)11-7-4-5-10(3)6-8-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-ylazepane?
ethane;4-methyl-1-propan-2-ylazepane has a molecular weight of 185.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-ylazepane is sourced from PubChem (CID 144749711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).