ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine

C7H19N3 — CID 142951523

IUPACethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine
SMILESCC.CN/C=C(\N)CCN
InChIInChI=1S/C5H13N3.C2H6/c1-8-4-5(7)2-3-6;1-2/h4,8H,2-3,6-7H2,1H3;1-2H3/b5-4-;
InChIKeyQBKLGEBDKIOFLB-MKWAYWHRSA-N
MW145.25 g/mol
LogP0.38
Rot. Bonds3

About ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine

ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine (PubChem CID 142951523) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine.

Molecular Properties

Compound Nameethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine
PubChem CID142951523
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Nameethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine
SMILESCC.CN/C=C(\N)CCN
InChIInChI=1S/C5H13N3.C2H6/c1-8-4-5(7)2-3-6;1-2/h4,8H,2-3,6-7H2,1H3;1-2H3/b5-4-;
InChIKeyQBKLGEBDKIOFLB-MKWAYWHRSA-N
XLogP0.38
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine?
The IUPAC name of ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine (CID 142951523) is ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine.
What is the SMILES notation for ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine?
The canonical SMILES for ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine is CC.CN/C=C(\N)CCN.
What is the InChIKey of ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine?
The InChIKey is QBKLGEBDKIOFLB-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H13N3.C2H6/c1-8-4-5(7)2-3-6;1-2/h4,8H,2-3,6-7H2,1H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine?
ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine has a molecular weight of 145.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine is sourced from PubChem (CID 142951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).