4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine

C11H20N4 — CID 163959584

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine
SMILESCN1CCCN(C2=CC=NCC2N)CC1
InChIInChI=1S/C11H20N4/c1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h3-4,10H,2,5-9,12H2,1H3
InChIKeySGIBUNFOMLXUBK-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.08
Rot. Bonds1

About 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine

4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine (PubChem CID 163959584) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine
PubChem CID163959584
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine
SMILESCN1CCCN(C2=CC=NCC2N)CC1
InChIInChI=1S/C11H20N4/c1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h3-4,10H,2,5-9,12H2,1H3
InChIKeySGIBUNFOMLXUBK-UHFFFAOYSA-N
XLogP-0.08
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydropyridin-4-yl)-N-methylazepan-4-amine
CID 68089470
1-(2,3-Dihydropyridin-5-yl)-1,4-diazepane
CID 139935688
4-N-[2-(dimethylamino)ethyl]-3-methyl-2H-pyridine-3,4-diamine
CID 140591036
N,1-dimethyl-5-(prop-2-enylideneamino)-3,6-dihydro-2H-pyridin-4-amine
CID 144594832
acetylene;6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 144718975
N'-(2,3-dihydropyridin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 145601383
(Z)-3-(2,4-dimethyl-3,5-dihydro-2H-pyrazin-6-yl)-1-N-methylprop-2-ene-1,2-diamine
CID 156637570
4-(4-Tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
CID 163541673
4-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
CID 163687771
1-(2,3-Dihydropyridin-3-yl)-1,4-diazepane
CID 173170382
(Z)-N-[(Z)-but-2-en-2-yl]-2-(1,4-diazepan-1-ylmethyl)pent-2-en-1-imine
CID 173752471
1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
CID 143987286

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine (CID 163959584) is 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine is CN1CCCN(C2=CC=NCC2N)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine?
The InChIKey is SGIBUNFOMLXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h3-4,10H,2,5-9,12H2,1H3.
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine?
4-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine has a molecular weight of 208.31 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 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)-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 163959584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).