3-amino-N-cyclopropyl-2-methylhex-5-enamide

C10H18N2O — CID 89244981

IUPAC3-amino-N-cyclopropyl-2-methylhex-5-enamide
SMILESC=CCC(N)C(C)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O/c1-3-4-9(11)7(2)10(13)12-8-5-6-8/h3,7-9H,1,4-6,11H2,2H3,(H,12,13)
InChIKeyHAWGCFIBWFDYPA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.80
Rot. Bonds5

About 3-amino-N-cyclopropyl-2-methylhex-5-enamide

3-amino-N-cyclopropyl-2-methylhex-5-enamide (PubChem CID 89244981) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-methylhex-5-enamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-methylhex-5-enamide
PubChem CID89244981
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-amino-N-cyclopropyl-2-methylhex-5-enamide
SMILESC=CCC(N)C(C)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O/c1-3-4-9(11)7(2)10(13)12-8-5-6-8/h3,7-9H,1,4-6,11H2,2H3,(H,12,13)
InChIKeyHAWGCFIBWFDYPA-UHFFFAOYSA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-methylhex-5-enamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-methylhex-5-enamide (CID 89244981) is 3-amino-N-cyclopropyl-2-methylhex-5-enamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-methylhex-5-enamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-methylhex-5-enamide is C=CCC(N)C(C)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-methylhex-5-enamide?
The InChIKey is HAWGCFIBWFDYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-9(11)7(2)10(13)12-8-5-6-8/h3,7-9H,1,4-6,11H2,2H3,(H,12,13).
What are the key properties of 3-amino-N-cyclopropyl-2-methylhex-5-enamide?
3-amino-N-cyclopropyl-2-methylhex-5-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-methylhex-5-enamide is sourced from PubChem (CID 89244981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).