(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide

C11H23N3O — CID 170356587

IUPAC(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
SMILESCC(C)N/C=C(\N)CC(=O)N(C)C(C)C
InChIInChI=1S/C11H23N3O/c1-8(2)13-7-10(12)6-11(15)14(5)9(3)4/h7-9,13H,6,12H2,1-5H3/b10-7-
InChIKeyMIYVLPULFJHQEI-YFHOEESVSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds5

About (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide

(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide (PubChem CID 170356587) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
PubChem CID170356587
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
SMILESCC(C)N/C=C(\N)CC(=O)N(C)C(C)C
InChIInChI=1S/C11H23N3O/c1-8(2)13-7-10(12)6-11(15)14(5)9(3)4/h7-9,13H,6,12H2,1-5H3/b10-7-
InChIKeyMIYVLPULFJHQEI-YFHOEESVSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide?
The IUPAC name of (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide (CID 170356587) is (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide.
What is the SMILES notation for (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide?
The canonical SMILES for (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide is CC(C)N/C=C(\N)CC(=O)N(C)C(C)C.
What is the InChIKey of (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide?
The InChIKey is MIYVLPULFJHQEI-YFHOEESVSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)13-7-10(12)6-11(15)14(5)9(3)4/h7-9,13H,6,12H2,1-5H3/b10-7-.
What are the key properties of (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide?
(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide is sourced from PubChem (CID 170356587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).