N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine

C17H33NO — CID 79364575

IUPACN-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1C1CCCCCC1
InChIInChI=1S/C17H33NO/c1-14(2)12-18-13-16-10-7-11-19-17(16)15-8-5-3-4-6-9-15/h14-18H,3-13H2,1-2H3
InChIKeyIVTORFDLAIVZRE-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds5

About N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine

N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79364575) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID79364575
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1C1CCCCCC1
InChIInChI=1S/C17H33NO/c1-14(2)12-18-13-16-10-7-11-19-17(16)15-8-5-3-4-6-9-15/h14-18H,3-13H2,1-2H3
InChIKeyIVTORFDLAIVZRE-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
2-methyl-N-[[2-(2-methylpropyl)oxan-3-yl]methyl]propan-1-amine
CID 79365214
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
CID 114207979
1-(2-cyclopropyloxan-3-yl)-N-methylmethanamine
CID 79365541
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846
N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine
CID 79364991
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 79365980

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine (CID 79364575) is N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCOC1C1CCCCCC1.
What is the InChIKey of N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is IVTORFDLAIVZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)12-18-13-16-10-7-11-19-17(16)15-8-5-3-4-6-9-15/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79364575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).