4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one

C18H35NO — CID 170043029

IUPAC4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one
SMILESC=C(C(C)CC)N(C)CC(CC)CCC(C)C(=O)CC
InChIInChI=1S/C18H35NO/c1-8-14(4)16(6)19(7)13-17(9-2)12-11-15(5)18(20)10-3/h14-15,17H,6,8-13H2,1-5,7H3
InChIKeyDUEWUTNACMDLMU-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.90
Rot. Bonds11

About 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one

4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one (PubChem CID 170043029) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one.

Molecular Properties

Compound Name4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one
PubChem CID170043029
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one
SMILESC=C(C(C)CC)N(C)CC(CC)CCC(C)C(=O)CC
InChIInChI=1S/C18H35NO/c1-8-14(4)16(6)19(7)13-17(9-2)12-11-15(5)18(20)10-3/h14-15,17H,6,8-13H2,1-5,7H3
InChIKeyDUEWUTNACMDLMU-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one?
The IUPAC name of 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one (CID 170043029) is 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one.
What is the SMILES notation for 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one?
The canonical SMILES for 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one is C=C(C(C)CC)N(C)CC(CC)CCC(C)C(=O)CC.
What is the InChIKey of 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one?
The InChIKey is DUEWUTNACMDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-8-14(4)16(6)19(7)13-17(9-2)12-11-15(5)18(20)10-3/h14-15,17H,6,8-13H2,1-5,7H3.
What are the key properties of 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one?
4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one has a molecular weight of 281.48 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one is sourced from PubChem (CID 170043029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).