N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine

C12H22N2 — CID 164661137

IUPACN-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine
SMILESCC1(CNC2CC3(CCC3)C2)CNC1
InChIInChI=1S/C12H22N2/c1-11(7-13-8-11)9-14-10-5-12(6-10)3-2-4-12/h10,13-14H,2-9H2,1H3
InChIKeyWOZQNHUZKYMNRS-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.52
Rot. Bonds3

About N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine

N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine (PubChem CID 164661137) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine.

Molecular Properties

Compound NameN-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine
PubChem CID164661137
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine
SMILESCC1(CNC2CC3(CCC3)C2)CNC1
InChIInChI=1S/C12H22N2/c1-11(7-13-8-11)9-14-10-5-12(6-10)3-2-4-12/h10,13-14H,2-9H2,1H3
InChIKeyWOZQNHUZKYMNRS-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(3-methylazetidin-3-yl)methyl]cyclopentan-1-amine
CID 130871122
3,3-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 114547529
4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130601573
N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
CID 130635070
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419
2,2,3,3-tetramethyl-N-[(1-methylcyclobutyl)methyl]cyclopropan-1-amine
CID 130601051
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
2-azaspiro[3.3]heptane
CID 20521856
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 105415917
2-methoxy-N-spiro[3.3]heptan-2-ylacetamide
CID 164661164
3-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine?
The IUPAC name of N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine (CID 164661137) is N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine.
What is the SMILES notation for N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine?
The canonical SMILES for N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine is CC1(CNC2CC3(CCC3)C2)CNC1.
What is the InChIKey of N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine?
The InChIKey is WOZQNHUZKYMNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(7-13-8-11)9-14-10-5-12(6-10)3-2-4-12/h10,13-14H,2-9H2,1H3.
What are the key properties of N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine?
N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylazetidin-3-yl)methyl]spiro[3.3]heptan-2-amine is sourced from PubChem (CID 164661137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).