2-methylpropan-1-amine;nitric acid

C4H12N2O3 — CID 71390480

IUPAC2-methylpropan-1-amine;nitric acid
SMILESCC(C)CN.O=[N+]([O-])O
InChIInChI=1S/C4H11N.HNO3/c1-4(2)3-5;2-1(3)4/h4H,3,5H2,1-2H3;(H,2,3,4)
InChIKeyPKAAGVVLVYJRLP-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.25
Rot. Bonds1

About 2-methylpropan-1-amine;nitric acid

2-methylpropan-1-amine;nitric acid (PubChem CID 71390480) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-methylpropan-1-amine;nitric acid.

Molecular Properties

Compound Name2-methylpropan-1-amine;nitric acid
PubChem CID71390480
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name2-methylpropan-1-amine;nitric acid
SMILESCC(C)CN.O=[N+]([O-])O
InChIInChI=1S/C4H11N.HNO3/c1-4(2)3-5;2-1(3)4/h4H,3,5H2,1-2H3;(H,2,3,4)
InChIKeyPKAAGVVLVYJRLP-UHFFFAOYSA-N
XLogP0.25
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylbutane;nitric acid
CID 158412732
1-aminoethanol;bis(nitric acid)
CID 173099484
butane;ethanamine;bis(nitric acid)
CID 175325430
2-methylpropan-1-amine;dihydrobromide
CID 172812560
2-aminoethanol;bis(nitric acid)
CID 22257240
1-hydrazinylethanol;nitric acid
CID 87726706
(2S)-2-bromopropan-1-ol;nitric acid
CID 71377270
acetic acid;copper;2-methylpropan-1-amine
CID 88782115
ethanol;nitramide;bis(nitric acid)
CID 159870281
methanol;nitric acid;yttrium
CID 20642582
ethane;methane;2-methylpropan-1-amine
CID 164904154
azane;guanidine;bis(nitric acid)
CID 174540476

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-amine;nitric acid?
The IUPAC name of 2-methylpropan-1-amine;nitric acid (CID 71390480) is 2-methylpropan-1-amine;nitric acid.
What is the SMILES notation for 2-methylpropan-1-amine;nitric acid?
The canonical SMILES for 2-methylpropan-1-amine;nitric acid is CC(C)CN.O=[N+]([O-])O.
What is the InChIKey of 2-methylpropan-1-amine;nitric acid?
The InChIKey is PKAAGVVLVYJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.HNO3/c1-4(2)3-5;2-1(3)4/h4H,3,5H2,1-2H3;(H,2,3,4).
What are the key properties of 2-methylpropan-1-amine;nitric acid?
2-methylpropan-1-amine;nitric acid has a molecular weight of 136.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-amine;nitric acid is sourced from PubChem (CID 71390480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).