N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine

C9H20N2 — CID 121420149

IUPACN'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine
SMILESC/C=C\CNCNC(C)CC
InChIInChI=1S/C9H20N2/c1-4-6-7-10-8-11-9(3)5-2/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-
InChIKeyWTDWRVRJGBTZDG-XQRVVYSFSA-N
MW156.27 g/mol
LogP1.50
Rot. Bonds6

About N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine

N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine (PubChem CID 121420149) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine
PubChem CID121420149
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine
SMILESC/C=C\CNCNC(C)CC
InChIInChI=1S/C9H20N2/c1-4-6-7-10-8-11-9(3)5-2/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-
InChIKeyWTDWRVRJGBTZDG-XQRVVYSFSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
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'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine?
The IUPAC name of N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine (CID 121420149) is N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine.
What is the SMILES notation for N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine?
The canonical SMILES for N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine is C/C=C\CNCNC(C)CC.
What is the InChIKey of N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine?
The InChIKey is WTDWRVRJGBTZDG-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-6-7-10-8-11-9(3)5-2/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-.
What are the key properties of N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine?
N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine has a molecular weight of 156.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine is sourced from PubChem (CID 121420149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).