1-(2,2-dimethylpropyl)-4-methylazepane

C12H25N — CID 142575360

IUPAC1-(2,2-dimethylpropyl)-4-methylazepane
SMILESCC1CCCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H25N/c1-11-6-5-8-13(9-7-11)10-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyCCFPKLLBNBOILW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-4-methylazepane

1-(2,2-dimethylpropyl)-4-methylazepane (PubChem CID 142575360) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-methylazepane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-methylazepane
PubChem CID142575360
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(2,2-dimethylpropyl)-4-methylazepane
SMILESCC1CCCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H25N/c1-11-6-5-8-13(9-7-11)10-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyCCFPKLLBNBOILW-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
1-(2,2-dimethylpropyl)azocane
CID 131007399
[2-methyl-1-(4-methylpiperidin-1-yl)propan-2-yl]-λ2-stannane
CID 174710196
2-(ethylamino)-2-methyl-3-(4-methylazepan-1-yl)propan-1-ol
CID 64788999
2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
CID 79630412
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957
5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
CID 113497185

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-methylazepane?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-methylazepane (CID 142575360) is 1-(2,2-dimethylpropyl)-4-methylazepane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-methylazepane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-methylazepane is CC1CCCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-methylazepane?
The InChIKey is CCFPKLLBNBOILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11-6-5-8-13(9-7-11)10-12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-methylazepane?
1-(2,2-dimethylpropyl)-4-methylazepane has a molecular weight of 183.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-methylazepane is sourced from PubChem (CID 142575360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).