(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine

C14H23N3 — CID 124501966

IUPAC(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(N2CCCCCC2)ncc1[C@@H](C)N
InChIInChI=1S/C14H23N3/c1-11-9-14(16-10-13(11)12(2)15)17-7-5-3-4-6-8-17/h9-10,12H,3-8,15H2,1-2H3/t12-/m1/s1
InChIKeyKSMPCOXRWNZOLC-GFCCVEGCSA-N
MW233.36 g/mol
LogP2.79
Rot. Bonds2

About (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine

(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine (PubChem CID 124501966) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
PubChem CID124501966
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(N2CCCCCC2)ncc1[C@@H](C)N
InChIInChI=1S/C14H23N3/c1-11-9-14(16-10-13(11)12(2)15)17-7-5-3-4-6-8-17/h9-10,12H,3-8,15H2,1-2H3/t12-/m1/s1
InChIKeyKSMPCOXRWNZOLC-GFCCVEGCSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine (CID 124501966) is (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine is Cc1cc(N2CCCCCC2)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine?
The InChIKey is KSMPCOXRWNZOLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-9-14(16-10-13(11)12(2)15)17-7-5-3-4-6-8-17/h9-10,12H,3-8,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine?
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 124501966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).