1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine

C17H29N3 — CID 79828998

IUPAC1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(C)CCc2ccncc2)CCCC1(C)C
InChIInChI=1S/C17H29N3/c1-17(2)10-5-6-15(16(17)18-3)20(4)13-9-14-7-11-19-12-8-14/h7-8,11-12,15-16,18H,5-6,9-10,13H2,1-4H3
InChIKeyJQVMFXYOYLBBML-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds5

About 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine

1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine (PubChem CID 79828998) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
PubChem CID79828998
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(C)CCc2ccncc2)CCCC1(C)C
InChIInChI=1S/C17H29N3/c1-17(2)10-5-6-15(16(17)18-3)20(4)13-9-14-7-11-19-12-8-14/h7-8,11-12,15-16,18H,5-6,9-10,13H2,1-4H3
InChIKeyJQVMFXYOYLBBML-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-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-N-(cyclopentylmethyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828953
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
2,2-dimethyl-6-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79853439
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
CID 62257036
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828938

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine (CID 79828998) is 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine is CNC1C(N(C)CCc2ccncc2)CCCC1(C)C.
What is the InChIKey of 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
The InChIKey is JQVMFXYOYLBBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2)10-5-6-15(16(17)18-3)20(4)13-9-14-7-11-19-12-8-14/h7-8,11-12,15-16,18H,5-6,9-10,13H2,1-4H3.
What are the key properties of 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).