methanamine;N'-methylethanimidamide;2-methylprop-1-ene

C8H21N3 — CID 142054622

IUPACmethanamine;N'-methylethanimidamide;2-methylprop-1-ene
SMILESC/N=C(\C)N.C=C(C)C.CN
InChIInChI=1S/C4H8.C3H8N2.CH5N/c1-4(2)3;1-3(4)5-2;1-2/h1H2,2-3H3;1-2H3,(H2,4,5);2H2,1H3
InChIKeyUHUCBZWZGHCKFU-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.15
Rot. Bonds

About methanamine;N'-methylethanimidamide;2-methylprop-1-ene

methanamine;N'-methylethanimidamide;2-methylprop-1-ene (PubChem CID 142054622) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is methanamine;N'-methylethanimidamide;2-methylprop-1-ene.

Molecular Properties

Compound Namemethanamine;N'-methylethanimidamide;2-methylprop-1-ene
PubChem CID142054622
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Namemethanamine;N'-methylethanimidamide;2-methylprop-1-ene
SMILESC/N=C(\C)N.C=C(C)C.CN
InChIInChI=1S/C4H8.C3H8N2.CH5N/c1-4(2)3;1-3(4)5-2;1-2/h1H2,2-3H3;1-2H3,(H2,4,5);2H2,1H3
InChIKeyUHUCBZWZGHCKFU-UHFFFAOYSA-N
XLogP1.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;N'-methylethanimidamide;2-methylprop-1-ene?
The IUPAC name of methanamine;N'-methylethanimidamide;2-methylprop-1-ene (CID 142054622) is methanamine;N'-methylethanimidamide;2-methylprop-1-ene.
What is the SMILES notation for methanamine;N'-methylethanimidamide;2-methylprop-1-ene?
The canonical SMILES for methanamine;N'-methylethanimidamide;2-methylprop-1-ene is C/N=C(\C)N.C=C(C)C.CN.
What is the InChIKey of methanamine;N'-methylethanimidamide;2-methylprop-1-ene?
The InChIKey is UHUCBZWZGHCKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8N2.CH5N/c1-4(2)3;1-3(4)5-2;1-2/h1H2,2-3H3;1-2H3,(H2,4,5);2H2,1H3.
What are the key properties of methanamine;N'-methylethanimidamide;2-methylprop-1-ene?
methanamine;N'-methylethanimidamide;2-methylprop-1-ene has a molecular weight of 159.28 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N'-methylethanimidamide;2-methylprop-1-ene is sourced from PubChem (CID 142054622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).