N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine

C9H20N2 — CID 165026193

IUPACN',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine
SMILESC/C=C(\C)CCNCN(C)C
InChIInChI=1S/C9H20N2/c1-5-9(2)6-7-10-8-11(3)4/h5,10H,6-8H2,1-4H3/b9-5+
InChIKeyDVJRWFLLGPWZBV-WEVVVXLNSA-N
MW156.27 g/mol
LogP1.45
Rot. Bonds5

About N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine

N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine (PubChem CID 165026193) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine
PubChem CID165026193
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine
SMILESC/C=C(\C)CCNCN(C)C
InChIInChI=1S/C9H20N2/c1-5-9(2)6-7-10-8-11(3)4/h5,10H,6-8H2,1-4H3/b9-5+
InChIKeyDVJRWFLLGPWZBV-WEVVVXLNSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine?
The IUPAC name of N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine (CID 165026193) is N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine.
What is the SMILES notation for N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine?
The canonical SMILES for N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine is C/C=C(\C)CCNCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine?
The InChIKey is DVJRWFLLGPWZBV-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-9(2)6-7-10-8-11(3)4/h5,10H,6-8H2,1-4H3/b9-5+.
What are the key properties of N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine?
N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine has a molecular weight of 156.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(E)-3-methylpent-3-enyl]methanediamine is sourced from PubChem (CID 165026193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).