(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane

C11H23N — CID 174341942

IUPAC(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
SMILESCC(C)N1C[C@H](C)CC[C@@H](C)C1
InChIInChI=1S/C11H23N/c1-9(2)12-7-10(3)5-6-11(4)8-12/h9-11H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyLPKHXOXXFSRHCB-GHMZBOCLSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane

(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane (PubChem CID 174341942) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
PubChem CID174341942
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
SMILESCC(C)N1C[C@H](C)CC[C@@H](C)C1
InChIInChI=1S/C11H23N/c1-9(2)12-7-10(3)5-6-11(4)8-12/h9-11H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyLPKHXOXXFSRHCB-GHMZBOCLSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
CID 174295591
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
CID 159786270
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
3-ethyl-5-methyl-1-propan-2-ylpiperidine
CID 20730096
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
3-methyl-5-propan-2-yl-1-propan-2-ylpiperidine;rhodium
CID 59526794

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane?
The IUPAC name of (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane (CID 174341942) is (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane.
What is the SMILES notation for (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane?
The canonical SMILES for (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane is CC(C)N1C[C@H](C)CC[C@@H](C)C1.
What is the InChIKey of (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane?
The InChIKey is LPKHXOXXFSRHCB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)12-7-10(3)5-6-11(4)8-12/h9-11H,5-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane?
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,6-dimethyl-1-propan-2-ylazepane is sourced from PubChem (CID 174341942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).