N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine

C9H20N2 — CID 129163925

IUPACN',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine
SMILESCC/C=C(\C)NCCN(C)C
InChIInChI=1S/C9H20N2/c1-5-6-9(2)10-7-8-11(3)4/h6,10H,5,7-8H2,1-4H3/b9-6+
InChIKeyKJITULBYFHDNKZ-RMKNXTFCSA-N
MW156.27 g/mol
LogP1.45
Rot. Bonds5

About N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine (PubChem CID 129163925) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine
PubChem CID129163925
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine
SMILESCC/C=C(\C)NCCN(C)C
InChIInChI=1S/C9H20N2/c1-5-6-9(2)10-7-8-11(3)4/h6,10H,5,7-8H2,1-4H3/b9-6+
InChIKeyKJITULBYFHDNKZ-RMKNXTFCSA-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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine (CID 129163925) is N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine is CC/C=C(\C)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine?
The InChIKey is KJITULBYFHDNKZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-6-9(2)10-7-8-11(3)4/h6,10H,5,7-8H2,1-4H3/b9-6+.
What are the key properties of N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethane-1,2-diamine 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)-pent-2-en-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 129163925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).