3,5,5-trimethyl-1-propan-2-ylazepane

C12H25N — CID 58110206

IUPAC3,5,5-trimethyl-1-propan-2-ylazepane
SMILESCC1CN(C(C)C)CCC(C)(C)C1
InChIInChI=1S/C12H25N/c1-10(2)13-7-6-12(4,5)8-11(3)9-13/h10-11H,6-9H2,1-5H3
InChIKeyDYNNINGQHQJUHF-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds1

About 3,5,5-trimethyl-1-propan-2-ylazepane

3,5,5-trimethyl-1-propan-2-ylazepane (PubChem CID 58110206) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name3,5,5-trimethyl-1-propan-2-ylazepane
PubChem CID58110206
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,5,5-trimethyl-1-propan-2-ylazepane
SMILESCC1CN(C(C)C)CCC(C)(C)C1
InChIInChI=1S/C12H25N/c1-10(2)13-7-6-12(4,5)8-11(3)9-13/h10-11H,6-9H2,1-5H3
InChIKeyDYNNINGQHQJUHF-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

2,4,4-trimethyl-1-propan-2-ylpiperidine
CID 177325327
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 117025067
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
CID 170274306
7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 127000189
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
3,5,5-trimethyl-1-octylazepane
CID 20533819
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 177204312

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-propan-2-ylazepane?
The IUPAC name of 3,5,5-trimethyl-1-propan-2-ylazepane (CID 58110206) is 3,5,5-trimethyl-1-propan-2-ylazepane.
What is the SMILES notation for 3,5,5-trimethyl-1-propan-2-ylazepane?
The canonical SMILES for 3,5,5-trimethyl-1-propan-2-ylazepane is CC1CN(C(C)C)CCC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-1-propan-2-ylazepane?
The InChIKey is DYNNINGQHQJUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)13-7-6-12(4,5)8-11(3)9-13/h10-11H,6-9H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-1-propan-2-ylazepane?
3,5,5-trimethyl-1-propan-2-ylazepane 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 3,5,5-trimethyl-1-propan-2-ylazepane is sourced from PubChem (CID 58110206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).