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

C18H35NO — CID 81025739

IUPAC2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1CCC1CCCO1
InChIInChI=1S/C18H35NO/c1-15(2)13-19-14-17-8-5-3-4-7-16(17)10-11-18-9-6-12-20-18/h15-19H,3-14H2,1-2H3
InChIKeyBSXLWCNVSQLIIV-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds7

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

2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 81025739) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
PubChem CID81025739
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1CCC1CCCO1
InChIInChI=1S/C18H35NO/c1-15(2)13-19-14-17-8-5-3-4-7-16(17)10-11-18-9-6-12-20-18/h15-19H,3-14H2,1-2H3
InChIKeyBSXLWCNVSQLIIV-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
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
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine (CID 81025739) is 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine is CC(C)CNCC1CCCCCC1CCC1CCCO1.
What is the InChIKey of 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is BSXLWCNVSQLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-15(2)13-19-14-17-8-5-3-4-7-16(17)10-11-18-9-6-12-20-18/h15-19H,3-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81025739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).