N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine

C17H27ClN2O — CID 114927656

IUPACN-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(OC2CCCCC2C)ncc1Cl
InChIInChI=1S/C17H27ClN2O/c1-12(2)9-19-10-14-8-17(20-11-15(14)18)21-16-7-5-4-6-13(16)3/h8,11-13,16,19H,4-7,9-10H2,1-3H3
InChIKeyQOHKEZHUTCYQQU-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.44
Rot. Bonds6

About N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114927656) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114927656
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(OC2CCCCC2C)ncc1Cl
InChIInChI=1S/C17H27ClN2O/c1-12(2)9-19-10-14-8-17(20-11-15(14)18)21-16-7-5-4-6-13(16)3/h8,11-13,16,19H,4-7,9-10H2,1-3H3
InChIKeyQOHKEZHUTCYQQU-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114927655
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928598
N-[[5-chloro-2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927846
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661
2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
CID 83186101
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928566
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114927656) is N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(OC2CCCCC2C)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QOHKEZHUTCYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12(2)9-19-10-14-8-17(20-11-15(14)18)21-16-7-5-4-6-13(16)3/h8,11-13,16,19H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114927656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).