N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine

C10H22N2 — CID 107900740

IUPACN-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESC/C=C/CN(C)CC(C)CNC
InChIInChI=1S/C10H22N2/c1-5-6-7-12(4)9-10(2)8-11-3/h5-6,10-11H,7-9H2,1-4H3/b6-5+
InChIKeyXLUGSIZEBKZHEL-AATRIKPKSA-N
MW170.30 g/mol
LogP1.35
Rot. Bonds6

About N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine

N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 107900740) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine
PubChem CID107900740
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESC/C=C/CN(C)CC(C)CNC
InChIInChI=1S/C10H22N2/c1-5-6-7-12(4)9-10(2)8-11-3/h5-6,10-11H,7-9H2,1-4H3/b6-5+
InChIKeyXLUGSIZEBKZHEL-AATRIKPKSA-N
XLogP1.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine (CID 107900740) is N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine is C/C=C/CN(C)CC(C)CNC.
What is the InChIKey of N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is XLUGSIZEBKZHEL-AATRIKPKSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-6-7-12(4)9-10(2)8-11-3/h5-6,10-11H,7-9H2,1-4H3/b6-5+.
What are the key properties of N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine?
N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 107900740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).