2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine

C19H37NO — CID 81033452

IUPAC2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1CCCC1CCCO1
InChIInChI=1S/C19H37NO/c1-16(2)14-20-15-18-9-5-3-4-8-17(18)10-6-11-19-12-7-13-21-19/h16-20H,3-15H2,1-2H3
InChIKeyGBERAPPIQATWFN-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds8

About 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine

2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 81033452) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
PubChem CID81033452
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1CCCC1CCCO1
InChIInChI=1S/C19H37NO/c1-16(2)14-20-15-18-9-5-3-4-8-17(18)10-6-11-19-12-7-13-21-19/h16-20H,3-15H2,1-2H3
InChIKeyGBERAPPIQATWFN-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
CID 81024941
2-methyl-N-[[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methyl]propan-1-amine
CID 65161458
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine (CID 81033452) is 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine is CC(C)CNCC1CCCCCC1CCCC1CCCO1.
What is the InChIKey of 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is GBERAPPIQATWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-16(2)14-20-15-18-9-5-3-4-8-17(18)10-6-11-19-12-7-13-21-19/h16-20H,3-15H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81033452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).