N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine

C8H21N5 — CID 155374232

IUPACN-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine
SMILESCNN(C)C/C=C/CNN(C)NC
InChIInChI=1S/C8H21N5/c1-9-12(3)8-6-5-7-11-13(4)10-2/h5-6,9-11H,7-8H2,1-4H3/b6-5+
InChIKeyNAEMQSWLAZWLLE-AATRIKPKSA-N
MW187.29 g/mol
LogP-0.82
Rot. Bonds7

About N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine

N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine (PubChem CID 155374232) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine.

Molecular Properties

Compound NameN-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine
PubChem CID155374232
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC NameN-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine
SMILESCNN(C)C/C=C/CNN(C)NC
InChIInChI=1S/C8H21N5/c1-9-12(3)8-6-5-7-11-13(4)10-2/h5-6,9-11H,7-8H2,1-4H3/b6-5+
InChIKeyNAEMQSWLAZWLLE-AATRIKPKSA-N
XLogP-0.82
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine?
The IUPAC name of N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine (CID 155374232) is N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine.
What is the SMILES notation for N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine?
The canonical SMILES for N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine is CNN(C)C/C=C/CNN(C)NC.
What is the InChIKey of N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine?
The InChIKey is NAEMQSWLAZWLLE-AATRIKPKSA-N. The full InChI is InChI=1S/C8H21N5/c1-9-12(3)8-6-5-7-11-13(4)10-2/h5-6,9-11H,7-8H2,1-4H3/b6-5+.
What are the key properties of N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine?
N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine has a molecular weight of 187.29 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylamino)-N-[[(E)-4-[methyl(methylamino)amino]but-2-enyl]amino]methanamine is sourced from PubChem (CID 155374232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).