methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine

C8H19N3 — CID 143791627

IUPACmethanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine
SMILESC=C/C(C)=C(\N)N(C)C.CN
InChIInChI=1S/C7H14N2.CH5N/c1-5-6(2)7(8)9(3)4;1-2/h5H,1,8H2,2-4H3;2H2,1H3/b7-6+;
InChIKeyDFVZWBAPMNFMHR-UHDJGPCESA-N
MW157.26 g/mol
LogP0.50
Rot. Bonds2

About methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine

methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine (PubChem CID 143791627) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Namemethanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine
PubChem CID143791627
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Namemethanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine
SMILESC=C/C(C)=C(\N)N(C)C.CN
InChIInChI=1S/C7H14N2.CH5N/c1-5-6(2)7(8)9(3)4;1-2/h5H,1,8H2,2-4H3;2H2,1H3/b7-6+;
InChIKeyDFVZWBAPMNFMHR-UHDJGPCESA-N
XLogP0.50
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine?
The IUPAC name of methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine (CID 143791627) is methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine is C=C/C(C)=C(\N)N(C)C.CN.
What is the InChIKey of methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine?
The InChIKey is DFVZWBAPMNFMHR-UHDJGPCESA-N. The full InChI is InChI=1S/C7H14N2.CH5N/c1-5-6(2)7(8)9(3)4;1-2/h5H,1,8H2,2-4H3;2H2,1H3/b7-6+;.
What are the key properties of methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine?
methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine has a molecular weight of 157.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 143791627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).