N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine

C9H20N2 — CID 135177358

IUPACN-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
SMILESC/C=C(\C)CNCCCNC
InChIInChI=1S/C9H20N2/c1-4-9(2)8-11-7-5-6-10-3/h4,10-11H,5-8H2,1-3H3/b9-4+
InChIKeyQIYAOEBIPRQKDJ-RUDMXATFSA-N
MW156.27 g/mol
LogP1.15
Rot. Bonds6

About N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine

N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine (PubChem CID 135177358) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
PubChem CID135177358
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
SMILESC/C=C(\C)CNCCCNC
InChIInChI=1S/C9H20N2/c1-4-9(2)8-11-7-5-6-10-3/h4,10-11H,5-8H2,1-3H3/b9-4+
InChIKeyQIYAOEBIPRQKDJ-RUDMXATFSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butene-1,4-diamine, N1,N4-diethyl-
CID 5369081
(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
CID 6532281
2-Butene-1,4-diamine, N1,N4-bis(3-aminopropyl)-
CID 5869833
CGC-11047 free base
CID 6475492
N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
CID 45271264
(Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine;hydrochloride
CID 76317373
Buta-2,3-dienyl-[3-(3-buta-2,3-dienylamino-propylamino)-propyl]-amine
CID 14585917
N,N'-Di-2-propenyl-1,3-propanediamine
CID 10630734
N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
CID 123140737
N-tert-Butyl-3-methylbut-2-en-1-amine
CID 10796846
2-Butene-1,4-diamine, N-(3-aminopropyl)-
CID 106231
N,N'-bis[3-(ethylamino)propyl]-2-butene-1,4-diamine
CID 476863

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine (CID 135177358) is N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine is C/C=C(\C)CNCCCNC.
What is the InChIKey of N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine?
The InChIKey is QIYAOEBIPRQKDJ-RUDMXATFSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-9(2)8-11-7-5-6-10-3/h4,10-11H,5-8H2,1-3H3/b9-4+.
What are the key properties of N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine?
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine is sourced from PubChem (CID 135177358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).