N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine

C15H22N2 — CID 80522715

IUPACN-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
SMILESCCNCC1(c2cccnc2)CC2(CCC2)C1
InChIInChI=1S/C15H22N2/c1-2-16-12-15(13-5-3-8-17-9-13)10-14(11-15)6-4-7-14/h3,5,8-9,16H,2,4,6-7,10-12H2,1H3
InChIKeySFMPQVQHHXOXAL-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine

N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine (PubChem CID 80522715) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
PubChem CID80522715
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
SMILESCCNCC1(c2cccnc2)CC2(CCC2)C1
InChIInChI=1S/C15H22N2/c1-2-16-12-15(13-5-3-8-17-9-13)10-14(11-15)6-4-7-14/h3,5,8-9,16H,2,4,6-7,10-12H2,1H3
InChIKeySFMPQVQHHXOXAL-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine
CID 80522394
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine
CID 80523629
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
CID 80522198
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
CID 65004114

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine (CID 80522715) is N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine is CCNCC1(c2cccnc2)CC2(CCC2)C1.
What is the InChIKey of N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine?
The InChIKey is SFMPQVQHHXOXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-16-12-15(13-5-3-8-17-9-13)10-14(11-15)6-4-7-14/h3,5,8-9,16H,2,4,6-7,10-12H2,1H3.
What are the key properties of N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine?
N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80522715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).