(Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine

C11H24N4 — CID 155614845

IUPAC(Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine
SMILES[H]/N=C(CC(C)C)/C(=C\N)CN(C)CCN
InChIInChI=1S/C11H24N4/c1-9(2)6-11(14)10(7-13)8-15(3)5-4-12/h7,9,14H,4-6,8,12-13H2,1-3H3/b10-7-,14-11+
InChIKeyAWOHUDVHNOEGNT-BXHQFMRESA-N
MW212.34 g/mol
LogP0.79
Rot. Bonds7

About (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine

(Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine (PubChem CID 155614845) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine
PubChem CID155614845
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name(Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine
SMILES[H]/N=C(CC(C)C)/C(=C\N)CN(C)CCN
InChIInChI=1S/C11H24N4/c1-9(2)6-11(14)10(7-13)8-15(3)5-4-12/h7,9,14H,4-6,8,12-13H2,1-3H3/b10-7-,14-11+
InChIKeyAWOHUDVHNOEGNT-BXHQFMRESA-N
XLogP0.79
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine (CID 155614845) is (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine is [H]/N=C(CC(C)C)/C(=C\N)CN(C)CCN.
What is the InChIKey of (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine?
The InChIKey is AWOHUDVHNOEGNT-BXHQFMRESA-N. The full InChI is InChI=1S/C11H24N4/c1-9(2)6-11(14)10(7-13)8-15(3)5-4-12/h7,9,14H,4-6,8,12-13H2,1-3H3/b10-7-,14-11+.
What are the key properties of (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine?
(Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2-aminoethyl)-N'-methyl-2-(3-methylbutanimidoyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 155614845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).