N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane

C21H37N3 — CID 143430267

IUPACN-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane
SMILESCCC.CCc1nc(C)c(/C=N/C)c(NC2CCCCC2)c1CC
InChIInChI=1S/C18H29N3.C3H8/c1-5-15-17(6-2)20-13(3)16(12-19-4)18(15)21-14-10-8-7-9-11-14;1-3-2/h12,14H,5-11H2,1-4H3,(H,20,21);3H2,1-2H3/b19-12+;
InChIKeyOBHBKBQVJHPWER-NNTHFVATSA-N
MW331.55 g/mol
LogP5.72
Rot. Bonds5

About N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane

N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane (PubChem CID 143430267) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane.

Molecular Properties

Compound NameN-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane
PubChem CID143430267
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC NameN-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane
SMILESCCC.CCc1nc(C)c(/C=N/C)c(NC2CCCCC2)c1CC
InChIInChI=1S/C18H29N3.C3H8/c1-5-15-17(6-2)20-13(3)16(12-19-4)18(15)21-14-10-8-7-9-11-14;1-3-2/h12,14H,5-11H2,1-4H3,(H,20,21);3H2,1-2H3/b19-12+;
InChIKeyOBHBKBQVJHPWER-NNTHFVATSA-N
XLogP5.72
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[3-(aminomethyl)-2-ethyl-6-methyl-5-(methyliminomethyl)-4-pyridinyl]amino]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 143430167
[4-(cyclohexylamino)-2,5,6-trimethyl-3-pyridinyl]methanol
CID 143430195
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
N-cyclohexyl-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53017035
N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
CID 28515838
N-cyclopentyl-1,3-diethylpyrazol-4-amine
CID 69088847
2,4-diethyl-3,5,6-trimethylpyridine
CID 59964349
[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol
CID 143430168
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine
CID 79219146
1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096350
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane?
The IUPAC name of N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane (CID 143430267) is N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane.
What is the SMILES notation for N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane?
The canonical SMILES for N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane is CCC.CCc1nc(C)c(/C=N/C)c(NC2CCCCC2)c1CC.
What is the InChIKey of N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane?
The InChIKey is OBHBKBQVJHPWER-NNTHFVATSA-N. The full InChI is InChI=1S/C18H29N3.C3H8/c1-5-15-17(6-2)20-13(3)16(12-19-4)18(15)21-14-10-8-7-9-11-14;1-3-2/h12,14H,5-11H2,1-4H3,(H,20,21);3H2,1-2H3/b19-12+;.
What are the key properties of N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane?
N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane has a molecular weight of 331.55 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane is sourced from PubChem (CID 143430267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).