(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine

C14H23N3 — CID 83127542

IUPAC(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
SMILESCC1CCCN(c2ccc([C@H](C)N)nc2)CC1
InChIInChI=1S/C14H23N3/c1-11-4-3-8-17(9-7-11)13-5-6-14(12(2)15)16-10-13/h5-6,10-12H,3-4,7-9,15H2,1-2H3/t11?,12-/m0/s1
InChIKeyRNYWGNCCBZFGMN-KIYNQFGBSA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds2

About (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine

(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83127542) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
PubChem CID83127542
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
SMILESCC1CCCN(c2ccc([C@H](C)N)nc2)CC1
InChIInChI=1S/C14H23N3/c1-11-4-3-8-17(9-7-11)13-5-6-14(12(2)15)16-10-13/h5-6,10-12H,3-4,7-9,15H2,1-2H3/t11?,12-/m0/s1
InChIKeyRNYWGNCCBZFGMN-KIYNQFGBSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine (CID 83127542) is (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine is CC1CCCN(c2ccc([C@H](C)N)nc2)CC1.
What is the InChIKey of (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is RNYWGNCCBZFGMN-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-3-8-17(9-7-11)13-5-6-14(12(2)15)16-10-13/h5-6,10-12H,3-4,7-9,15H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(4-methylazepan-1-yl)-2-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 (1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).