1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine

C10H20N2 — CID 137347410

IUPAC1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine
SMILESCCC(N)C1CC2CC1CN2C
InChIInChI=1S/C10H20N2/c1-3-10(11)9-5-8-4-7(9)6-12(8)2/h7-10H,3-6,11H2,1-2H3
InChIKeyVUWNXRYOJQQFGM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.06
Rot. Bonds2

About 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine

1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine (PubChem CID 137347410) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine
PubChem CID137347410
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine
SMILESCCC(N)C1CC2CC1CN2C
InChIInChI=1S/C10H20N2/c1-3-10(11)9-5-8-4-7(9)6-12(8)2/h7-10H,3-6,11H2,1-2H3
InChIKeyVUWNXRYOJQQFGM-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909
(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane
CID 147471345
(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
CID 170383307
(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 104932359
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 112680991
1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
CID 107924727
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781
4-(1-aminopropyl)oxolan-3-ol
CID 55288646
1-(4-oxidomorpholin-4-ium-2-yl)propan-1-amine
CID 87316910
1-(3-ethylcyclobutyl)propan-1-amine
CID 144526392

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine?
The IUPAC name of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine (CID 137347410) is 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine?
The canonical SMILES for 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine is CCC(N)C1CC2CC1CN2C.
What is the InChIKey of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine?
The InChIKey is VUWNXRYOJQQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10(11)9-5-8-4-7(9)6-12(8)2/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine?
1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine is sourced from PubChem (CID 137347410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).