(E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine

C7H19N3 — CID 145467014

IUPAC(E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine
SMILESCCNC/C(C)=C/N.CN
InChIInChI=1S/C6H14N2.CH5N/c1-3-8-5-6(2)4-7;1-2/h4,8H,3,5,7H2,1-2H3;2H2,1H3/b6-4+;
InChIKeyTWIVBVVSAVZVJN-CVDVRWGVSA-N
MW145.25 g/mol
LogP0.03
Rot. Bonds3

About (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine

(E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine (PubChem CID 145467014) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine.

Molecular Properties

Compound Name(E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine
PubChem CID145467014
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name(E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine
SMILESCCNC/C(C)=C/N.CN
InChIInChI=1S/C6H14N2.CH5N/c1-3-8-5-6(2)4-7;1-2/h4,8H,3,5,7H2,1-2H3;2H2,1H3/b6-4+;
InChIKeyTWIVBVVSAVZVJN-CVDVRWGVSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine?
The IUPAC name of (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine (CID 145467014) is (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine.
What is the SMILES notation for (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine?
The canonical SMILES for (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine is CCNC/C(C)=C/N.CN.
What is the InChIKey of (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine?
The InChIKey is TWIVBVVSAVZVJN-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H14N2.CH5N/c1-3-8-5-6(2)4-7;1-2/h4,8H,3,5,7H2,1-2H3;2H2,1H3/b6-4+;.
What are the key properties of (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine?
(E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine has a molecular weight of 145.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethyl-2-methylprop-1-ene-1,3-diamine;methanamine is sourced from PubChem (CID 145467014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).