2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid

C12H23NO2 — CID 61001959

IUPAC2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(NCC1CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)6-7-12(3,11(14)15)13-8-10-4-5-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyQGUSSMWESXBZCS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds7

About 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid

2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid (PubChem CID 61001959) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
PubChem CID61001959
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(NCC1CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)6-7-12(3,11(14)15)13-8-10-4-5-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyQGUSSMWESXBZCS-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848
2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid
CID 114998058
2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 59028266
2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
CID 114994714
2-methyl-2-(3-methylbutylamino)pentanoic acid
CID 43619536
2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
CID 60992410
methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868158
2-(cyclopropylmethylamino)-2-methylpentanamide
CID 55026560
methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
CID 54894120
methyl 2-(cyclopropylmethylamino)-2-methylnonanoate
CID 54894023
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid (CID 61001959) is 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid is CC(C)CCC(C)(NCC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid?
The InChIKey is QGUSSMWESXBZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)6-7-12(3,11(14)15)13-8-10-4-5-10/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid?
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid is sourced from PubChem (CID 61001959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).