N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine

C14H23N3O — CID 113482690

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCCOC2CCC(N)CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-11-10-13(6-7-16-11)17-8-9-18-14-4-2-12(15)3-5-14/h6-7,10,12,14H,2-5,8-9,15H2,1H3,(H,16,17)
InChIKeyIQQRWRQGSSQGRT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine

N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine (PubChem CID 113482690) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine
PubChem CID113482690
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCCOC2CCC(N)CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-11-10-13(6-7-16-11)17-8-9-18-14-4-2-12(15)3-5-14/h6-7,10,12,14H,2-5,8-9,15H2,1H3,(H,16,17)
InChIKeyIQQRWRQGSSQGRT-UHFFFAOYSA-N
XLogP2.09
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
2-methyl-N-propylpyridin-4-amine
CID 79240818
N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
CID 106876136
N-[2-(4-aminocyclohexyl)oxyethyl]-6-nitropyridin-3-amine
CID 63869519
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
4-(2-cyclohexyloxyethylamino)-N-methylpyridine-2-carboxamide
CID 63828258
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
CID 63870027

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine (CID 113482690) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine is Cc1cc(NCCOC2CCC(N)CC2)ccn1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine?
The InChIKey is IQQRWRQGSSQGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-13(6-7-16-11)17-8-9-18-14-4-2-12(15)3-5-14/h6-7,10,12,14H,2-5,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 113482690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).