N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine

C12H24N2 — CID 130195118

IUPACN-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
SMILESC/C=C/N(CC)CCN(C)/C(C)=C/C
InChIInChI=1S/C12H24N2/c1-6-9-14(8-3)11-10-13(5)12(4)7-2/h6-7,9H,8,10-11H2,1-5H3/b9-6+,12-7+
InChIKeyNKQBNMVIRZVUGR-QBXHZEQXSA-N
MW196.34 g/mol
LogP2.70
Rot. Bonds6

About N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine

N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine (PubChem CID 130195118) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
PubChem CID130195118
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
SMILESC/C=C/N(CC)CCN(C)/C(C)=C/C
InChIInChI=1S/C12H24N2/c1-6-9-14(8-3)11-10-13(5)12(4)7-2/h6-7,9H,8,10-11H2,1-5H3/b9-6+,12-7+
InChIKeyNKQBNMVIRZVUGR-QBXHZEQXSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine (CID 130195118) is N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine is C/C=C/N(CC)CCN(C)/C(C)=C/C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
The InChIKey is NKQBNMVIRZVUGR-QBXHZEQXSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-9-14(8-3)11-10-13(5)12(4)7-2/h6-7,9H,8,10-11H2,1-5H3/b9-6+,12-7+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine is sourced from PubChem (CID 130195118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).