(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide

C11H23N3O — CID 88984632

IUPAC(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide
SMILESCCCNC(=O)C(N)C/C=C(\N)C(C)C
InChIInChI=1S/C11H23N3O/c1-4-7-14-11(15)10(13)6-5-9(12)8(2)3/h5,8,10H,4,6-7,12-13H2,1-3H3,(H,14,15)/b9-5-
InChIKeyGBFFPAZKKXITCJ-UITAMQMPSA-N
MW213.32 g/mol
LogP0.73
Rot. Bonds6

About (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide

(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide (PubChem CID 88984632) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide.

Molecular Properties

Compound Name(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide
PubChem CID88984632
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide
SMILESCCCNC(=O)C(N)C/C=C(\N)C(C)C
InChIInChI=1S/C11H23N3O/c1-4-7-14-11(15)10(13)6-5-9(12)8(2)3/h5,8,10H,4,6-7,12-13H2,1-3H3,(H,14,15)/b9-5-
InChIKeyGBFFPAZKKXITCJ-UITAMQMPSA-N
XLogP0.73
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide?
The IUPAC name of (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide (CID 88984632) is (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide.
What is the SMILES notation for (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide?
The canonical SMILES for (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide is CCCNC(=O)C(N)C/C=C(\N)C(C)C.
What is the InChIKey of (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide?
The InChIKey is GBFFPAZKKXITCJ-UITAMQMPSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-7-14-11(15)10(13)6-5-9(12)8(2)3/h5,8,10H,4,6-7,12-13H2,1-3H3,(H,14,15)/b9-5-.
What are the key properties of (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide?
(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide has a molecular weight of 213.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide is sourced from PubChem (CID 88984632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).