6-[bis(3-methylbutyl)amino]hexan-2-one

C16H33NO — CID 107870512

IUPAC6-[bis(3-methylbutyl)amino]hexan-2-one
SMILESCC(=O)CCCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H33NO/c1-14(2)9-12-17(13-10-15(3)4)11-7-6-8-16(5)18/h14-15H,6-13H2,1-5H3
InChIKeyRPDLMDSBZPVBPW-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds11

About 6-[bis(3-methylbutyl)amino]hexan-2-one

6-[bis(3-methylbutyl)amino]hexan-2-one (PubChem CID 107870512) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 6-[bis(3-methylbutyl)amino]hexan-2-one.

Molecular Properties

Compound Name6-[bis(3-methylbutyl)amino]hexan-2-one
PubChem CID107870512
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name6-[bis(3-methylbutyl)amino]hexan-2-one
SMILESCC(=O)CCCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H33NO/c1-14(2)9-12-17(13-10-15(3)4)11-7-6-8-16(5)18/h14-15H,6-13H2,1-5H3
InChIKeyRPDLMDSBZPVBPW-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
2-[3-methylbutyl-[2-(6-oxoheptylamino)ethyl]amino]ethanesulfonic acid
CID 158718439
N-methyl-N-[2-methyl-4-[12-oxotridecyl(tridecyl)amino]butyl]propanamide
CID 176570658
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
14-methylpentadecane-2,8-dione
CID 159096890
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
CID 62921718

Frequently Asked Questions

What is the IUPAC name of 6-[bis(3-methylbutyl)amino]hexan-2-one?
The IUPAC name of 6-[bis(3-methylbutyl)amino]hexan-2-one (CID 107870512) is 6-[bis(3-methylbutyl)amino]hexan-2-one.
What is the SMILES notation for 6-[bis(3-methylbutyl)amino]hexan-2-one?
The canonical SMILES for 6-[bis(3-methylbutyl)amino]hexan-2-one is CC(=O)CCCCN(CCC(C)C)CCC(C)C.
What is the InChIKey of 6-[bis(3-methylbutyl)amino]hexan-2-one?
The InChIKey is RPDLMDSBZPVBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)9-12-17(13-10-15(3)4)11-7-6-8-16(5)18/h14-15H,6-13H2,1-5H3.
What are the key properties of 6-[bis(3-methylbutyl)amino]hexan-2-one?
6-[bis(3-methylbutyl)amino]hexan-2-one has a molecular weight of 255.45 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(3-methylbutyl)amino]hexan-2-one is sourced from PubChem (CID 107870512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).