(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane

C9H17N — CID 163470074

IUPAC(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane
SMILESCCCN1[C@@H]2CCC1(C)C2
InChIInChI=1S/C9H17N/c1-3-6-10-8-4-5-9(10,2)7-8/h8H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyBVVJGNGBDOXDPE-VEDVMXKPSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds2

About (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane

(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane (PubChem CID 163470074) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane
PubChem CID163470074
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane
SMILESCCCN1[C@@H]2CCC1(C)C2
InChIInChI=1S/C9H17N/c1-3-6-10-8-4-5-9(10,2)7-8/h8H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyBVVJGNGBDOXDPE-VEDVMXKPSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane
CID 171744569
8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 123895532
7-butyl-7-azabicyclo[2.2.1]heptane-1-carbonitrile
CID 102101056
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine
CID 167134996
3,3,5-trimethyl-1-propylazepane
CID 18798135
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
oxalic acid;6-phenyl-2-propyl-2-azabicyclo[4.2.1]nonane
CID 12827412
[(3S)-1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
CID 160738541
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
1-butyl-2,2,6,6-tetramethylpiperidin-3-amine
CID 142764448
1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 19905643

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane?
The IUPAC name of (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane (CID 163470074) is (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane is CCCN1[C@@H]2CCC1(C)C2.
What is the InChIKey of (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane?
The InChIKey is BVVJGNGBDOXDPE-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H17N/c1-3-6-10-8-4-5-9(10,2)7-8/h8H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane?
(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane has a molecular weight of 139.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 163470074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).