[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine

C11H18N4 — CID 170875415

IUPAC[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCCNCC1
InChIInChI=1S/C11H18N4/c12-9-10-3-1-5-14-11(10)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-9,12H2
InChIKeyCYOKTYDOPKOPRL-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.34
Rot. Bonds2

About [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine

[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine (PubChem CID 170875415) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
PubChem CID170875415
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCCNCC1
InChIInChI=1S/C11H18N4/c12-9-10-3-1-5-14-11(10)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-9,12H2
InChIKeyCYOKTYDOPKOPRL-UHFFFAOYSA-N
XLogP0.34
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine (CID 170875415) is [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine is NCc1cccnc1N1CCCNCC1.
What is the InChIKey of [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
The InChIKey is CYOKTYDOPKOPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-9-10-3-1-5-14-11(10)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-9,12H2.
What are the key properties of [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 170875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).