4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine

C11H22N4 — CID 130280001

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine
SMILESCN1CCCN(C2=C(N)CNCC2)CC1
InChIInChI=1S/C11H22N4/c1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h13H,2-9,12H2,1H3
InChIKeyPQVAXPMSXJLMKH-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.21
Rot. Bonds1

About 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine

4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 130280001) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID130280001
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine
SMILESCN1CCCN(C2=C(N)CNCC2)CC1
InChIInChI=1S/C11H22N4/c1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h13H,2-9,12H2,1H3
InChIKeyPQVAXPMSXJLMKH-UHFFFAOYSA-N
XLogP-0.21
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine (CID 130280001) is 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine is CN1CCCN(C2=C(N)CNCC2)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is PQVAXPMSXJLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h13H,2-9,12H2,1H3.
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine?
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 210.32 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 130280001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).