N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

C17H28N2O — CID 62297718

IUPACN-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccnc1OC1CCCCCC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)19-13-14-9-8-12-18-16(14)20-15-10-6-4-5-7-11-15/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3
InChIKeyWYPHVBMYITZKKP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.07
Rot. Bonds4

About N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 62297718) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID62297718
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccnc1OC1CCCCCC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)19-13-14-9-8-12-18-16(14)20-15-10-6-4-5-7-11-15/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3
InChIKeyWYPHVBMYITZKKP-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
N-[(3-cyclopentyloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 153302455
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133338759
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869742
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 62290124
tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289999
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111595209
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288771

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (CID 62297718) is N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccnc1OC1CCCCCC1.
What is the InChIKey of N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is WYPHVBMYITZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)19-13-14-9-8-12-18-16(14)20-15-10-6-4-5-7-11-15/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62297718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).