2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine

C19H30N2 — CID 80523825

IUPAC2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2ccncc2)CC2(CCCCC2)C1
InChIInChI=1S/C19H30N2/c1-16(2)12-21-15-19(17-6-10-20-11-7-17)13-18(14-19)8-4-3-5-9-18/h6-7,10-11,16,21H,3-5,8-9,12-15H2,1-2H3
InChIKeyJKWXOZNKMDEIQA-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.31
Rot. Bonds5

About 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine

2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine (PubChem CID 80523825) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
PubChem CID80523825
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2ccncc2)CC2(CCCCC2)C1
InChIInChI=1S/C19H30N2/c1-16(2)12-21-15-19(17-6-10-20-11-7-17)13-18(14-19)8-4-3-5-9-18/h6-7,10-11,16,21H,3-5,8-9,12-15H2,1-2H3
InChIKeyJKWXOZNKMDEIQA-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine (CID 80523825) is 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine is CC(C)CNCC1(c2ccncc2)CC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine?
The InChIKey is JKWXOZNKMDEIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(2)12-21-15-19(17-6-10-20-11-7-17)13-18(14-19)8-4-3-5-9-18/h6-7,10-11,16,21H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine?
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80523825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).