1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine

C10H20N2 — CID 79678512

IUPAC1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine
SMILESCCC(N)CN1CC2(CCC2)C1
InChIInChI=1S/C10H20N2/c1-2-9(11)6-12-7-10(8-12)4-3-5-10/h9H,2-8,11H2,1H3
InChIKeyJEOJFZFBJTYHPE-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds3

About 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine

1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine (PubChem CID 79678512) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine
PubChem CID79678512
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine
SMILESCCC(N)CN1CC2(CCC2)C1
InChIInChI=1S/C10H20N2/c1-2-9(11)6-12-7-10(8-12)4-3-5-10/h9H,2-8,11H2,1H3
InChIKeyJEOJFZFBJTYHPE-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-azaspiro[3.3]heptan-6-amine dihydrochloride
CID 138106147
2-(Propan-2-yl)-2-azaspiro(3.3)heptan-6-amine dihydrochloride
CID 165947316
2-Methyl-2-azaspiro[3.3]heptan-6-amine
CID 68271550
2-(Propan-2-yl)-2-azaspiro[3.3]heptan-6-amine
CID 118697091
N,N-dimethyl-2-azaspiro[3.3]heptan-6-amine
CID 131545219
2-(2-Fluoroethyl)-2-azaspiro[3.3]heptan-6-amine
CID 168933015
6-fluoro-2-[(2S,3S)-2-methylpyrrolidin-3-yl]-2-azaspiro[3.3]heptane
CID 178265137
[(2S,3S)-2-tert-butyl-1-methyl-4-sulfanylideneazetidin-3-yl]azanium
CID 135028302
1-[1-(3,3-Difluoro-2,2-dimethylpentyl)azetidin-2-yl]methanamine
CID 165838043
CID 177801957
CID 177801957
2-Azaspiro[3.3]heptane-2-ethanamine
CID 55289039
(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine
CID 58597809

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine?
The IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine (CID 79678512) is 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine is CCC(N)CN1CC2(CCC2)C1.
What is the InChIKey of 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine?
The InChIKey is JEOJFZFBJTYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-9(11)6-12-7-10(8-12)4-3-5-10/h9H,2-8,11H2,1H3.
What are the key properties of 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine?
1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine is sourced from PubChem (CID 79678512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).