2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

C19H37NO — CID 79491622

IUPAC2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCCC(CC)N(CC(C)C)CC1CC(C(C)C)CCC1=O
InChIInChI=1S/C19H37NO/c1-7-18(8-2)20(12-14(3)4)13-17-11-16(15(5)6)9-10-19(17)21/h14-18H,7-13H2,1-6H3
InChIKeyDLHCZPXSYNRGSC-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.77
Rot. Bonds8

About 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 79491622) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID79491622
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCCC(CC)N(CC(C)C)CC1CC(C(C)C)CCC1=O
InChIInChI=1S/C19H37NO/c1-7-18(8-2)20(12-14(3)4)13-17-11-16(15(5)6)9-10-19(17)21/h14-18H,7-13H2,1-6H3
InChIKeyDLHCZPXSYNRGSC-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 79491622) is 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CCC(CC)N(CC(C)C)CC1CC(C(C)C)CCC1=O.
What is the InChIKey of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is DLHCZPXSYNRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-7-18(8-2)20(12-14(3)4)13-17-11-16(15(5)6)9-10-19(17)21/h14-18H,7-13H2,1-6H3.
What are the key properties of 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 295.51 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 79491622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).