2-amino-3-[(dimethylamino)methyl]pentanal;methanamine

C9H23N3O — CID 142076811

IUPAC2-amino-3-[(dimethylamino)methyl]pentanal;methanamine
SMILESCCC(CN(C)C)C(N)C=O.CN
InChIInChI=1S/C8H18N2O.CH5N/c1-4-7(5-10(2)3)8(9)6-11;1-2/h6-8H,4-5,9H2,1-3H3;2H2,1H3
InChIKeyCGKVDQMMTPPBGX-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.32
Rot. Bonds5

About 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine

2-amino-3-[(dimethylamino)methyl]pentanal;methanamine (PubChem CID 142076811) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine.

Molecular Properties

Compound Name2-amino-3-[(dimethylamino)methyl]pentanal;methanamine
PubChem CID142076811
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name2-amino-3-[(dimethylamino)methyl]pentanal;methanamine
SMILESCCC(CN(C)C)C(N)C=O.CN
InChIInChI=1S/C8H18N2O.CH5N/c1-4-7(5-10(2)3)8(9)6-11;1-2/h6-8H,4-5,9H2,1-3H3;2H2,1H3
InChIKeyCGKVDQMMTPPBGX-UHFFFAOYSA-N
XLogP-0.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine?
The IUPAC name of 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine (CID 142076811) is 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine.
What is the SMILES notation for 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine?
The canonical SMILES for 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine is CCC(CN(C)C)C(N)C=O.CN.
What is the InChIKey of 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine?
The InChIKey is CGKVDQMMTPPBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.CH5N/c1-4-7(5-10(2)3)8(9)6-11;1-2/h6-8H,4-5,9H2,1-3H3;2H2,1H3.
What are the key properties of 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine?
2-amino-3-[(dimethylamino)methyl]pentanal;methanamine has a molecular weight of 189.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(dimethylamino)methyl]pentanal;methanamine is sourced from PubChem (CID 142076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).