(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one

C13H27NO — CID 153494768

IUPAC(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
SMILESCCC(C)[C@H](C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C13H27NO/c1-8-11(6)12(13(15)9(2)3)14(7)10(4)5/h9-12H,8H2,1-7H3/t11?,12-/m1/s1
InChIKeyQEVLPBSANCYBLV-PIJUOVFKSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one

(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one (PubChem CID 153494768) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one.

Molecular Properties

Compound Name(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
PubChem CID153494768
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
SMILESCCC(C)[C@H](C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C13H27NO/c1-8-11(6)12(13(15)9(2)3)14(7)10(4)5/h9-12H,8H2,1-7H3/t11?,12-/m1/s1
InChIKeyQEVLPBSANCYBLV-PIJUOVFKSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-4-[tert-butyl(methyl)amino]-2,5-dimethylheptan-3-one
CID 177276642
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
CID 143677823
[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate
CID 23594696
4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
CID 144581032
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
(4R)-2,5-dimethyl-4-(2-methylpropyl)heptan-3-one
CID 162101589
(3S)-N,2,4-trimethyl-N-propan-2-ylhexan-3-amine
CID 59252899
(2S)-N-[(3S,4S,5R)-5-methoxy-3-methyl-7-oxooctan-4-yl]-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl(propan-2-yl)amino]butanoyl]amino]butanamide
CID 130443240
ethyl 2-[ethoxycarbonyl(methyl)amino]-3-methylpentanoate
CID 155456106

Frequently Asked Questions

What is the IUPAC name of (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one?
The IUPAC name of (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one (CID 153494768) is (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one.
What is the SMILES notation for (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one?
The canonical SMILES for (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one is CCC(C)[C@H](C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one?
The InChIKey is QEVLPBSANCYBLV-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H27NO/c1-8-11(6)12(13(15)9(2)3)14(7)10(4)5/h9-12H,8H2,1-7H3/t11?,12-/m1/s1.
What are the key properties of (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one?
(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one is sourced from PubChem (CID 153494768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).