3,3,5-trimethyl-1-propylazepane

C12H25N — CID 18798135

IUPAC3,3,5-trimethyl-1-propylazepane
SMILESCCCN1CCC(C)CC(C)(C)C1
InChIInChI=1S/C12H25N/c1-5-7-13-8-6-11(2)9-12(3,4)10-13/h11H,5-10H2,1-4H3
InChIKeyUBGBWRBBWAMHLD-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds2

About 3,3,5-trimethyl-1-propylazepane

3,3,5-trimethyl-1-propylazepane (PubChem CID 18798135) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-propylazepane.

Molecular Properties

Compound Name3,3,5-trimethyl-1-propylazepane
PubChem CID18798135
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3,5-trimethyl-1-propylazepane
SMILESCCCN1CCC(C)CC(C)(C)C1
InChIInChI=1S/C12H25N/c1-5-7-13-8-6-11(2)9-12(3,4)10-13/h11H,5-10H2,1-4H3
InChIKeyUBGBWRBBWAMHLD-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

3-ethyl-3-methyl-1,4-dipropylpiperidine
CID 172566839
methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
CID 117024655
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane
CID 6962700
1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine
CID 170386744
2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one
CID 21280930
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
ethane;1-ethyl-4-methylpiperidine
CID 143737046

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-propylazepane?
The IUPAC name of 3,3,5-trimethyl-1-propylazepane (CID 18798135) is 3,3,5-trimethyl-1-propylazepane.
What is the SMILES notation for 3,3,5-trimethyl-1-propylazepane?
The canonical SMILES for 3,3,5-trimethyl-1-propylazepane is CCCN1CCC(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-1-propylazepane?
The InChIKey is UBGBWRBBWAMHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-13-8-6-11(2)9-12(3,4)10-13/h11H,5-10H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-1-propylazepane?
3,3,5-trimethyl-1-propylazepane has a molecular weight of 183.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-propylazepane is sourced from PubChem (CID 18798135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).