oxalic acid;N-propan-2-ylpentan-2-amine

C10H21NO4 — CID 175913447

IUPACoxalic acid;N-propan-2-ylpentan-2-amine
SMILESCCCC(C)NC(C)C.O=C(O)C(=O)O
InChIInChI=1S/C8H19N.C2H2O4/c1-5-6-8(4)9-7(2)3;3-1(4)2(5)6/h7-9H,5-6H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyYCYJBBFUTSBMBQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.33
Rot. Bonds4

About oxalic acid;N-propan-2-ylpentan-2-amine

oxalic acid;N-propan-2-ylpentan-2-amine (PubChem CID 175913447) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is oxalic acid;N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Nameoxalic acid;N-propan-2-ylpentan-2-amine
PubChem CID175913447
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameoxalic acid;N-propan-2-ylpentan-2-amine
SMILESCCCC(C)NC(C)C.O=C(O)C(=O)O
InChIInChI=1S/C8H19N.C2H2O4/c1-5-6-8(4)9-7(2)3;3-1(4)2(5)6/h7-9H,5-6H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyYCYJBBFUTSBMBQ-UHFFFAOYSA-N
XLogP1.33
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(propan-2-ylamino)hexanoic acid
CID 82848277
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
bis(butane-1,1-diol);oxalic acid
CID 158734382
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
1-N'-pentan-2-ylethane-1,1-diamine
CID 147485734

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-propan-2-ylpentan-2-amine?
The IUPAC name of oxalic acid;N-propan-2-ylpentan-2-amine (CID 175913447) is oxalic acid;N-propan-2-ylpentan-2-amine.
What is the SMILES notation for oxalic acid;N-propan-2-ylpentan-2-amine?
The canonical SMILES for oxalic acid;N-propan-2-ylpentan-2-amine is CCCC(C)NC(C)C.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-propan-2-ylpentan-2-amine?
The InChIKey is YCYJBBFUTSBMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H2O4/c1-5-6-8(4)9-7(2)3;3-1(4)2(5)6/h7-9H,5-6H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-propan-2-ylpentan-2-amine?
oxalic acid;N-propan-2-ylpentan-2-amine has a molecular weight of 219.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 175913447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).