(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine

C15H25N3 — CID 103937411

IUPAC(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCCCC2C)cn1
InChIInChI=1S/C15H25N3/c1-3-14(16)15-9-8-13(11-17-15)18-10-6-4-5-7-12(18)2/h8-9,11-12,14H,3-7,10,16H2,1-2H3/t12?,14-/m1/s1
InChIKeyPJYRKMCIPNWRGW-TYZXPVIJSA-N
MW247.39 g/mol
LogP3.26
Rot. Bonds3

About (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 103937411) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID103937411
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCCCC2C)cn1
InChIInChI=1S/C15H25N3/c1-3-14(16)15-9-8-13(11-17-15)18-10-6-4-5-7-12(18)2/h8-9,11-12,14H,3-7,10,16H2,1-2H3/t12?,14-/m1/s1
InChIKeyPJYRKMCIPNWRGW-TYZXPVIJSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine (CID 103937411) is (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(N2CCCCCC2C)cn1.
What is the InChIKey of (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is PJYRKMCIPNWRGW-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-14(16)15-9-8-13(11-17-15)18-10-6-4-5-7-12(18)2/h8-9,11-12,14H,3-7,10,16H2,1-2H3/t12?,14-/m1/s1.
What are the key properties of (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).