6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one

C14H29NO — CID 15317293

IUPAC6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one
SMILESCC(=O)C(C)(C)CCCN(C(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)15(12(3)4)10-8-9-14(6,7)13(5)16/h11-12H,8-10H2,1-7H3
InChIKeyFDUIDRHWTWNQPD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds7

About 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one

6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one (PubChem CID 15317293) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one.

Molecular Properties

Compound Name6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one
PubChem CID15317293
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one
SMILESCC(=O)C(C)(C)CCCN(C(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)15(12(3)4)10-8-9-14(6,7)13(5)16/h11-12H,8-10H2,1-7H3
InChIKeyFDUIDRHWTWNQPD-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,7-trimethyloctan-2-one
CID 88712465
7-hydroperoxy-3,3-dimethyloctan-2-one
CID 10750125
3,3,6-trimethylheptan-2-one
CID 55274452
2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
CID 134213072
3,3-dimethyl-4-[propan-2-yl(propyl)amino]butan-2-one
CID 66452724
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
3,3,5-trimethylhexan-2-one
CID 2776079
3-[di(propan-2-yl)amino]propyl carbamate
CID 175431360
4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol
CID 154350594
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
1-[di(propan-2-yl)amino]-7-methyloctan-4-one
CID 161012016
N,N-di(propan-2-yl)butan-1-amine
CID 11062646

Frequently Asked Questions

What is the IUPAC name of 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one?
The IUPAC name of 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one (CID 15317293) is 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one.
What is the SMILES notation for 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one?
The canonical SMILES for 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one is CC(=O)C(C)(C)CCCN(C(C)C)C(C)C.
What is the InChIKey of 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one?
The InChIKey is FDUIDRHWTWNQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)15(12(3)4)10-8-9-14(6,7)13(5)16/h11-12H,8-10H2,1-7H3.
What are the key properties of 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one?
6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one has a molecular weight of 227.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one is sourced from PubChem (CID 15317293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).