1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine

C14H23N3 — CID 114056181

IUPAC1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
SMILESCC1CCCN(c2ncccc2C(C)N)CC1
InChIInChI=1S/C14H23N3/c1-11-5-4-9-17(10-7-11)14-13(12(2)15)6-3-8-16-14/h3,6,8,11-12H,4-5,7,9-10,15H2,1-2H3
InChIKeyXISCVFXAQYLYHU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds2

About 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine

1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine (PubChem CID 114056181) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
PubChem CID114056181
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
SMILESCC1CCCN(c2ncccc2C(C)N)CC1
InChIInChI=1S/C14H23N3/c1-11-5-4-9-17(10-7-11)14-13(12(2)15)6-3-8-16-14/h3,6,8,11-12H,4-5,7,9-10,15H2,1-2H3
InChIKeyXISCVFXAQYLYHU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
(1R)-1-[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114055863
(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine
CID 114056129
(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 114056368
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
3-(4-methylazepan-1-yl)pyridin-2-amine
CID 104540390
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114056364
1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine
CID 114087020
2-(2-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 83882581
(E)-3-[2-(4-methylazepan-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 114057014
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine (CID 114056181) is 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine is CC1CCCN(c2ncccc2C(C)N)CC1.
What is the InChIKey of 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is XISCVFXAQYLYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-4-9-17(10-7-11)14-13(12(2)15)6-3-8-16-14/h3,6,8,11-12H,4-5,7,9-10,15H2,1-2H3.
What are the key properties of 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine?
1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).