N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine

C14H21N3 — CID 128702135

IUPACN-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
SMILESc1cn2c(n1)CC(NC1CC3(CCC3)C1)CC2
InChIInChI=1S/C14H21N3/c1-3-14(4-1)9-12(10-14)16-11-2-6-17-7-5-15-13(17)8-11/h5,7,11-12,16H,1-4,6,8-10H2
InChIKeyYLEACJKTBVANRW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.12
Rot. Bonds2

About N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine

N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine (PubChem CID 128702135) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound NameN-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
PubChem CID128702135
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
SMILESc1cn2c(n1)CC(NC1CC3(CCC3)C1)CC2
InChIInChI=1S/C14H21N3/c1-3-14(4-1)9-12(10-14)16-11-2-6-17-7-5-15-13(17)8-11/h5,7,11-12,16H,1-4,6,8-10H2
InChIKeyYLEACJKTBVANRW-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The IUPAC name of N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine (CID 128702135) is N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine is c1cn2c(n1)CC(NC1CC3(CCC3)C1)CC2.
What is the InChIKey of N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The InChIKey is YLEACJKTBVANRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-14(4-1)9-12(10-14)16-11-2-6-17-7-5-15-13(17)8-11/h5,7,11-12,16H,1-4,6,8-10H2.
What are the key properties of N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine has a molecular weight of 231.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3.3]heptan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 128702135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).