5-butyl-2-azabicyclo[2.2.1]heptane

C10H19N — CID 69403972

IUPAC5-butyl-2-azabicyclo[2.2.1]heptane
SMILESCCCCC1CC2CC1CN2
InChIInChI=1S/C10H19N/c1-2-3-4-8-5-10-6-9(8)7-11-10/h8-11H,2-7H2,1H3
InChIKeyMBJPLSMRKBKSHD-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds3

About 5-butyl-2-azabicyclo[2.2.1]heptane

5-butyl-2-azabicyclo[2.2.1]heptane (PubChem CID 69403972) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 5-butyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-butyl-2-azabicyclo[2.2.1]heptane
PubChem CID69403972
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name5-butyl-2-azabicyclo[2.2.1]heptane
SMILESCCCCC1CC2CC1CN2
InChIInChI=1S/C10H19N/c1-2-3-4-8-5-10-6-9(8)7-11-10/h8-11H,2-7H2,1H3
InChIKeyMBJPLSMRKBKSHD-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
CID 121336326
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
1-hexyl-2-undecylcyclopropane
CID 58049498

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-butyl-2-azabicyclo[2.2.1]heptane (CID 69403972) is 5-butyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-butyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-butyl-2-azabicyclo[2.2.1]heptane is CCCCC1CC2CC1CN2.
What is the InChIKey of 5-butyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is MBJPLSMRKBKSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-4-8-5-10-6-9(8)7-11-10/h8-11H,2-7H2,1H3.
What are the key properties of 5-butyl-2-azabicyclo[2.2.1]heptane?
5-butyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 69403972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).