N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine

C15H23N3 — CID 62294664

IUPACN-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2CC3CCC2C3)ccn1
InChIInChI=1S/C15H23N3/c1-11(2)17-9-13-8-15(5-6-16-13)18-10-12-3-4-14(18)7-12/h5-6,8,11-12,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyPYXZWDFEENKDNT-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.57
Rot. Bonds4

About N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62294664) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62294664
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2CC3CCC2C3)ccn1
InChIInChI=1S/C15H23N3/c1-11(2)17-9-13-8-15(5-6-16-13)18-10-12-3-4-14(18)7-12/h5-6,8,11-12,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyPYXZWDFEENKDNT-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine (CID 62294664) is N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(N2CC3CCC2C3)ccn1.
What is the InChIKey of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is PYXZWDFEENKDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)17-9-13-8-15(5-6-16-13)18-10-12-3-4-14(18)7-12/h5-6,8,11-12,14,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62294664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).