N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C17H27ClN2O — CID 114928593

IUPACN-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(OCC2CCCCC2)ncc1Cl
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)20-10-14-9-16(19-11-15(14)18)21-12-13-7-5-4-6-8-13/h9,11,13,20H,4-8,10,12H2,1-3H3
InChIKeyXQGHUNMFFKNAFC-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.58
Rot. Bonds5

About N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114928593) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114928593
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(OCC2CCCCC2)ncc1Cl
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)20-10-14-9-16(19-11-15(14)18)21-12-13-7-5-4-6-8-13/h9,11,13,20H,4-8,10,12H2,1-3H3
InChIKeyXQGHUNMFFKNAFC-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928546
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928598
[5-chloro-2-(cyclopentylmethoxy)-4-pyridinyl]methanamine
CID 114928866
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
N-[[5-chloro-2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927846
N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81253547
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927691
N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83186691
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
1-[5-chloro-2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylmethanamine
CID 106205334
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114928593) is N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(OCC2CCCCC2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XQGHUNMFFKNAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,3)20-10-14-9-16(19-11-15(14)18)21-12-13-7-5-4-6-8-13/h9,11,13,20H,4-8,10,12H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114928593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).