2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine

C16H30N4 — CID 67770603

IUPAC2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
SMILESCCN(C1CCN(C)CC1)C1(NC(C)C)C=CC=CN1
InChIInChI=1S/C16H30N4/c1-5-20(15-8-12-19(4)13-9-15)16(18-14(2)3)10-6-7-11-17-16/h6-7,10-11,14-15,17-18H,5,8-9,12-13H2,1-4H3
InChIKeyBWNKYNRVIYYNMK-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.73
Rot. Bonds5

About 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine

2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine (PubChem CID 67770603) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine.

Molecular Properties

Compound Name2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
PubChem CID67770603
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
SMILESCCN(C1CCN(C)CC1)C1(NC(C)C)C=CC=CN1
InChIInChI=1S/C16H30N4/c1-5-20(15-8-12-19(4)13-9-15)16(18-14(2)3)10-6-7-11-17-16/h6-7,10-11,14-15,17-18H,5,8-9,12-13H2,1-4H3
InChIKeyBWNKYNRVIYYNMK-UHFFFAOYSA-N
XLogP1.73
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
N-piperidin-4-yl-2H-pyridine-1-carboxamide
CID 21839682
2-Piperidin-1-yl-1,2-dihydropyridine
CID 21878399
1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride
CID 67530633
1-piperidin-4-yl-2H-pyridin-2-amine
CID 67530634
1-piperidin-2-yl-2H-pyridine
CID 69375797
1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 70512373
(1E,3Z)-2-[4-(dimethylamino)piperidin-1-yl]hexa-1,3,5-triene-1,5-diamine
CID 87688619
2-methylidene-1-piperidin-4-yl-4,5-dihydro-3H-imidazo[4,5-b]pyridine
CID 89230817
1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine
CID 89271141
1-(1,2-Dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane
CID 118422487
1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
CID 118422520

Frequently Asked Questions

What is the IUPAC name of 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine?
The IUPAC name of 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine (CID 67770603) is 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine.
What is the SMILES notation for 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine?
The canonical SMILES for 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine is CCN(C1CCN(C)CC1)C1(NC(C)C)C=CC=CN1.
What is the InChIKey of 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine?
The InChIKey is BWNKYNRVIYYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-20(15-8-12-19(4)13-9-15)16(18-14(2)3)10-6-7-11-17-16/h6-7,10-11,14-15,17-18H,5,8-9,12-13H2,1-4H3.
What are the key properties of 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine?
2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine is sourced from PubChem (CID 67770603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).