(1-pyridin-4-ylazepan-2-yl)methanamine

C12H19N3 — CID 116640201

IUPAC(1-pyridin-4-ylazepan-2-yl)methanamine
SMILESNCC1CCCCCN1c1ccncc1
InChIInChI=1S/C12H19N3/c13-10-12-4-2-1-3-9-15(12)11-5-7-14-8-6-11/h5-8,12H,1-4,9-10,13H2
InChIKeyDHUBDNVCWHPTQE-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.79
Rot. Bonds2

About (1-pyridin-4-ylazepan-2-yl)methanamine

(1-pyridin-4-ylazepan-2-yl)methanamine (PubChem CID 116640201) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1-pyridin-4-ylazepan-2-yl)methanamine.

Molecular Properties

Compound Name(1-pyridin-4-ylazepan-2-yl)methanamine
PubChem CID116640201
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1-pyridin-4-ylazepan-2-yl)methanamine
SMILESNCC1CCCCCN1c1ccncc1
InChIInChI=1S/C12H19N3/c13-10-12-4-2-1-3-9-15(12)11-5-7-14-8-6-11/h5-8,12H,1-4,9-10,13H2
InChIKeyDHUBDNVCWHPTQE-UHFFFAOYSA-N
XLogP1.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
CID 63758931
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
CID 131071995
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
[1-(1,2,4-benzotriazin-3-yl)azepan-2-yl]methanamine
CID 103205238
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
CID 116640188
[1-(1,2,4-triazin-3-yl)piperidin-2-yl]methanamine
CID 83830456

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylazepan-2-yl)methanamine?
The IUPAC name of (1-pyridin-4-ylazepan-2-yl)methanamine (CID 116640201) is (1-pyridin-4-ylazepan-2-yl)methanamine.
What is the SMILES notation for (1-pyridin-4-ylazepan-2-yl)methanamine?
The canonical SMILES for (1-pyridin-4-ylazepan-2-yl)methanamine is NCC1CCCCCN1c1ccncc1.
What is the InChIKey of (1-pyridin-4-ylazepan-2-yl)methanamine?
The InChIKey is DHUBDNVCWHPTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-10-12-4-2-1-3-9-15(12)11-5-7-14-8-6-11/h5-8,12H,1-4,9-10,13H2.
What are the key properties of (1-pyridin-4-ylazepan-2-yl)methanamine?
(1-pyridin-4-ylazepan-2-yl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylazepan-2-yl)methanamine is sourced from PubChem (CID 116640201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).