(3S)-7-amino-3-methylheptan-2-one;ethane

C10H23NO — CID 145493099

IUPAC(3S)-7-amino-3-methylheptan-2-one;ethane
SMILESCC.CC(=O)[C@@H](C)CCCCN
InChIInChI=1S/C8H17NO.C2H6/c1-7(8(2)10)5-3-4-6-9;1-2/h7H,3-6,9H2,1-2H3;1-2H3/t7-;/m0./s1
InChIKeyMHZSYIVVOVUBKH-FJXQXJEOSA-N
MW173.30 g/mol
LogP2.37
Rot. Bonds5

About (3S)-7-amino-3-methylheptan-2-one;ethane

(3S)-7-amino-3-methylheptan-2-one;ethane (PubChem CID 145493099) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (3S)-7-amino-3-methylheptan-2-one;ethane.

Molecular Properties

Compound Name(3S)-7-amino-3-methylheptan-2-one;ethane
PubChem CID145493099
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(3S)-7-amino-3-methylheptan-2-one;ethane
SMILESCC.CC(=O)[C@@H](C)CCCCN
InChIInChI=1S/C8H17NO.C2H6/c1-7(8(2)10)5-3-4-6-9;1-2/h7H,3-6,9H2,1-2H3;1-2H3/t7-;/m0./s1
InChIKeyMHZSYIVVOVUBKH-FJXQXJEOSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
CID 171042672
CID 171042672
(3R)-3-methyloctan-2-one
CID 158725350
7-amino-3-(tert-butylamino)heptan-2-one
CID 89488673
3-methyltridecan-2-one
CID 58341645
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
(3S)-7-chloro-3-methylheptan-2-one
CID 141061105
6-methyl-7-oxooctanoic acid
CID 71756573
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839

Frequently Asked Questions

What is the IUPAC name of (3S)-7-amino-3-methylheptan-2-one;ethane?
The IUPAC name of (3S)-7-amino-3-methylheptan-2-one;ethane (CID 145493099) is (3S)-7-amino-3-methylheptan-2-one;ethane.
What is the SMILES notation for (3S)-7-amino-3-methylheptan-2-one;ethane?
The canonical SMILES for (3S)-7-amino-3-methylheptan-2-one;ethane is CC.CC(=O)[C@@H](C)CCCCN.
What is the InChIKey of (3S)-7-amino-3-methylheptan-2-one;ethane?
The InChIKey is MHZSYIVVOVUBKH-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-7(8(2)10)5-3-4-6-9;1-2/h7H,3-6,9H2,1-2H3;1-2H3/t7-;/m0./s1.
What are the key properties of (3S)-7-amino-3-methylheptan-2-one;ethane?
(3S)-7-amino-3-methylheptan-2-one;ethane has a molecular weight of 173.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-amino-3-methylheptan-2-one;ethane is sourced from PubChem (CID 145493099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).