N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine

C9H20N2 — CID 176941787

IUPACN-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine
SMILESC=C(CC)NCCN(C)CC
InChIInChI=1S/C9H20N2/c1-5-9(3)10-7-8-11(4)6-2/h10H,3,5-8H2,1-2,4H3
InChIKeyZVINNODNRPJMEN-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.45
Rot. Bonds6

About N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine

N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 176941787) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID176941787
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine
SMILESC=C(CC)NCCN(C)CC
InChIInChI=1S/C9H20N2/c1-5-9(3)10-7-8-11(4)6-2/h10H,3,5-8H2,1-2,4H3
InChIKeyZVINNODNRPJMEN-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine (CID 176941787) is N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine is C=C(CC)NCCN(C)CC.
What is the InChIKey of N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is ZVINNODNRPJMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-9(3)10-7-8-11(4)6-2/h10H,3,5-8H2,1-2,4H3.
What are the key properties of N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine?
N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 176941787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).