N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine

C15H22N2 — CID 80525541

IUPACN-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccncc2)CC2(CC2)C1
InChIInChI=1S/C15H22N2/c1-12(2)17-11-15(9-14(10-15)5-6-14)13-3-7-16-8-4-13/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyIMXFNMBUMYSKHR-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.89
Rot. Bonds4

About N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine

N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine (PubChem CID 80525541) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
PubChem CID80525541
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccncc2)CC2(CC2)C1
InChIInChI=1S/C15H22N2/c1-12(2)17-11-15(9-14(10-15)5-6-14)13-3-7-16-8-4-13/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyIMXFNMBUMYSKHR-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 ≤ 500230.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine (CID 80525541) is N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine is CC(C)NCC1(c2ccncc2)CC2(CC2)C1.
What is the InChIKey of N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
The InChIKey is IMXFNMBUMYSKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)17-11-15(9-14(10-15)5-6-14)13-3-7-16-8-4-13/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine?
N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine has a molecular weight of 230.36 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-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 80525541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).